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Atom/Electron Papers

See also our main Papers and Publications page, as well as the publications pages of the Fink, Johnson, and Soljacic groups.

[1]
K. C. Huang, T. Wang, and J. D. Joannopoulos, “Nanoscale properties of melting at the surface of semiconductors,” Physical Review B, vol. 72, p. 195314, November 2005. [ bib | http | Abstract ]
[2]
M. H. Evans, X.-G. Zhang, J. D. Joannopoulos, and S. T. Pantelides, “First-principles mobility calculations and atomic-scale interface roughness in nanoscale structures,” Physical Review Letters, vol. 95, p. 106802, September 2005. [ bib | http | Abstract ]
[3]
M. H. Evans, J. D. Joannopoulos, and S. T. Pantelides, “Electronic and mechanical properties of planar and tubular boron structures,” Physical Review B, vol. 72, p. 045434, July 2005. [ bib | http | Abstract ]
[4]
K. C. Huang, T. Wang, and J. D. Joannopoulos, “Superheating and induced melting at semiconductor interfaces,” Physical Review Letters, vol. 94, p. 175702, May 2005. [ bib | http | Abstract ]
[5]
M. Skorobogatiy, I. J. Park, and J. D. Joannopoulos, “The nature of a floating electron,” Computational Materials Science, vol. 32, pp. 96–106, January 2005. [ bib | DOI | Abstract ]
[6]
I. Appelbaum, T. Wang, J. D. Joannopoulos, and V. Narayanamurti, “Ballistic hot-electron transport in nanoscale semiconductor heterostructures: Exact self-energy of a three-dimensional periodic tight-binding Hamiltonian,” Physical Review B, vol. 69, p. 165301, April 2004. [ bib | http | Abstract ]
[7]
E. J. Reed, L. E. Fried, and J. D. Joannopoulos, “A method for tractable dynamical studies of single and double shock compression,” Physical Review Letters, vol. 90, p. 235503, June 2003. [ bib | http | Abstract ]
[8]
I. Appelbaum, J. D. Joannopoulos, and V. Narayanamurti, “Alternative paradigm for physical computing,” Physical Review E, vol. 66, p. 066612, December 2002. [ bib | http | Abstract ]
[9]
I. Park, K. Cho, S. Lee, K. S. Kim, and J. D. Joannopoulos, “Ab initio atomistic dynamical study of an excess electron in water,” Computational Materials Science, vol. 21, pp. 291–300, July 2001. [ bib | DOI | Abstract ]
[10]
J. M. Soler, I. L. Garzón, and J. D. Joannopoulos, “Structural patterns of unsupported gold clusters,” Solid State Communications, vol. 117, pp. 621–625, February 2001. [ bib | DOI | Abstract ]
[11]
E. J. Reed, J. D. Joannopoulos, and L. E. Fried, “Electronic excitations in shocked nitromethane,” Physical Review B, vol. 62, pp. 16500–16509, December 2000. [ bib | http | Abstract ]
[12]
T. Wang, N. Moll, K. Cho, and J. D. Joannopoulos, “Computational design of compounds for monolithic integration in optoelectronics,” Physical Review B, vol. 63, p. 035306, January 2000. [ bib | http | Abstract ]
[13]
N. Moll, T. Wang, K. Cho, and J. D. Joannopoulos, “Semiconductor alloys for monolithic integration with Si microelectronics,” Materials Science & Engineering B, vol. 67, pp. 17–22, December 1999. [ bib | DOI | Abstract ]
[14]
S. Mirbt and N. Moll, “Cation-rich (100) surface reconstructions of inp and gap,” Physical Review B, vol. 60, pp. 13283–13286, November 1999. [ bib | http | Abstract ]
[15]
M. Skorobogatiy and J. D. Joannopoulos, “Nonzero-temperature path-integral method for fermions and bosons: A grand canonical approach,” Physical Review B, vol. 60, pp. 1433–1436, July 1999. [ bib | http | Abstract ]
[16]
T. Wang, N. Moll, K. Cho, and J. D. Joannopoulos, “Deliberately designed materials for optoelectronics applications,” Physical Review Letters, vol. 82, pp. 3304–3307, April 1999. [ bib | http | Abstract ]
[17]
T. Wang, N. Moll, K. Cho, and J. D. Joannopoulos, “Deliberately designed interfaces for monolithic integration in optoelectronics,” Journal of Vacuum Science and Technology B, vol. 17, pp. 1612–1616, March 1999. [ bib | DOI | Abstract ]
[18]
S. Mirbt, N. Moll, A. Kley, and J. D. Joannopoulos, “A general rule for surface reconstructions of III–V semiconductors,” Surface Science, vol. 422, pp. L177–L182, February 1999. [ bib | DOI | Abstract ]
[19]
R. B. Capaz, L. V. C. Assali, L. C. Kimerling, K. Cho, and J. D. Joannopoulos, “Mechanism for hydrogen-enhanced oxygen diffusion in silicon,” Physical Review B, vol. 59, pp. 4898–4900, February 1999. [ bib | http | Abstract ]
[20]
R. B. Capaz, A. Dal Pino, Jr., and J. D. Joannopoulos, “Theory of carbon-carbon pairs in silicon,” Physical Review B, vol. 58, pp. 9845–9850, October 1998. [ bib | http | Abstract ]
[21]
J. Ireta, M. Galván, K. Cho, and J. D. Joannopoulos, “Local reactivity of charybdotoxin, a k+ channel blocker,” Journal of the American Chemical Society, vol. 120, pp. 9771–9778, September 1998. [ bib | Abstract ]
[22]
K. Cho, E. Kaxiras, and J. D. Joannopoulos, “Theory of adsorption and desorption of h2 molecules on the Si(111)-(7×7) surface,” Physical Review Letters, vol. 79, pp. 5078–5081, December 1997. [ bib | http | Abstract ]
[23]
M. K. Aydinol, A. F. Kohan, G. Ceder, K. Cho, and J. Joannopoulos, “Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides,” Physical Review B, vol. 56, pp. 1354–1365, July 1997. [ bib | http | Abstract ]
[24]
R. B. Capaz and J. D. Joannopoulos, “Unified approach for the calculation of force constants and accelerated convergence of atomic coordinates,” Physical Review B, vol. 54, pp. 13402–13405, November 1996. [ bib | http | Abstract ]
[25]
K. Cho and J. D. Joannopoulos, “Intrinsic surface atom manipulations in STM and AFM,” Applied Surface Science, vol. 104–105, pp. 286–290, September 1996. [ bib | DOI | Abstract ]
[26]
P. D. Tepesch, A. F. Kohan, G. D. Garbulsky, G. Ceder, C. Coley, H. T. Stokes, L. L. Boyer, M. J. Mehl, B. P. Burton, K. Cho, and J. Joannopoulos, “A model to compute phase diagrams in oxides with empirical or first-principles energy methods and application to the solubility limits in the CaO–MgO system,” Journal of the American Ceramic Society, vol. 79, pp. 2033–2040, August 1996. [ bib | DOI | Abstract ]
[27]
H. Lim, K. Cho, R. B. Capaz, J. D. Joannopoulos, K. D. Brommer, and B. E. Larson, “Ab initio studies of adatom vacancies on the Si(111)-(7×7) surface,” Physical Review B, vol. 53, pp. 15421–15424, June 1996. [ bib | http | Abstract ]
[28]
S. Lee, S. J. Lee, J. Y. Lee, J. Kim, K. S. Kim, I. Park, K. Cho, and J. D. Joannopoulos, “Ab initio study of water hexamer anions,” Chemical Physics Letters, vol. 254, pp. 128–134, May 1996. [ bib | DOI | Abstract ]
[29]
K. S. Kim, I. Park, S. Lee, K. Cho, J. Y. Lee, J. Kim, and J. D. Joannopoulos, “The nature of a wet electron,” Physical Review Letters, vol. 76, pp. 956–959, February 1996. [ bib | http | Abstract ]
[30]
K. Cho and J. D. Joannopoulos, “Flipping silicon dimers on Si(100) using scanning tip microscopy: A theoretical investigation,” Physical Review B, vol. 53, pp. 4553–4556, February 1996. [ bib | http | Abstract ]
[31]
K. Cho, J. D. Joannopoulos, and A. N. Berker, “Vicinal Si(100) surfaces under external strain,” Physical Review B, vol. 53, pp. 1002–1005, January 1996. [ bib | http | Abstract ]
[32]
K. Cho and J. D. Joannopoulos, “Reversible tip-induced structural modifications in scanning tip microscopy,” Japanese Journal of Applied Physics, vol. 35, pp. 3714–3718, 1996. [ bib ]
[33]
H. Lim, K. Cho, I. Park, J. D. Joannopoulos, and E. Kaxiras, “Ab initio study of hydrogen adsorption on the Si(111)-(7×7) surface,” Physical Review B, vol. 52, pp. 17231–17237, December 1995. Erratum: ibid., vol. 54, p. 5179 (1996). [ bib | http | Abstract ]
[34]
R. B. Capaz, K. Cho, and J. D. Joannopoulos, “Signatures of bulk and surface arsenic antisite defects in GaAs(110),” Physical Review Letters, vol. 75, pp. 1811–1814, August 1995. [ bib | http | Abstract ]
[35]
R. B. Capaz, H. Lim, and J. D. Joannopoulos, “Ab initio studies of GaN epitaxial growth on SiC,” Physical Review B, vol. 51, pp. 17755–17757, June 1995. [ bib | http | Abstract ]
[36]
K. Cho and J. D. Joannopoulos, “Mechanical hysteresis on an atomic scale,” Surface Science, vol. 328, pp. 320–324, May 1995. [ bib | DOI | Abstract ]
[37]
K. Cho and J. D. Joannopoulos, “Tip-induced modifications in STM and AFM,” Scanning Microscopy, vol. 9, p. 381, 1995. [ bib ]
[38]
R. B. Capaz, A. Dal Pino, Jr., and J. D. Joannopoulos, “Identification of the migration path of interstitial carbon in silicon,” Physical Review B, vol. 50, pp. 7439–7442, September 1994. [ bib | http | Abstract ]
[39]
T. A. Arias and J. D. Joannopoulos, “Ab initio theory of dislocation interactions: from close-range spontaneous annihilation to the long-range continuum limit,” Physical Review Letters, vol. 73, pp. 680–683, August 1994. [ bib | http | Abstract ]
[40]
K. D. Brommer, M. Galván, A. Dal Pino, Jr., and J. D. Joannopoulos, “Theory of adsorption of atoms and molecules on Si-(111)-(7×7),” Surface Science, vol. 314, pp. 57–70, July 1994. [ bib | DOI | Abstract ]
[41]
A. Devenyi, K. Cho, T. A. Arias, and J. D. Joannopoulos, “Adaptive Riemannian metric for all-electron calculations,” Physical Review B, vol. 49, pp. 13373–13376, May 1994. [ bib | http | Abstract ]
[42]
T. A. Arias and J. D. Joannopoulos, “Electron trapping and impurity segregation without defects: Ab initio study of perfectly rebonded grain boundaries,” Physical Review B, vol. 49, pp. 4525–4531, February 1994. [ bib | http | Abstract ]
[43]
K. Cho, T. A. Arias, J. D. Joannopoulos, and P. K. Lam, “Wavelets in electronic structure calculations,” Physical Review Letters, vol. 71, pp. 1808–1811, September 1993. [ bib | http | Abstract ]
[44]
K. Cho and J. D. Joannopoulos, “Tip-surface interactions in scanning tunneling microscopy,” Physical Review Letters, vol. 71, pp. 1387–1390, August 1993. [ bib | http | Abstract ]
[45]
K. Cho, J. D. Joannopoulos, and L. Kleinman, “Constant-temperature molecular dynamics with momentum conservation,” Physical Review E, vol. 47, pp. 3145–3151, May 1993. [ bib | http | Abstract ]
[46]
A. Dal Pino, Jr., A. M. Rappe, and J. D. Joannopoulos, “Ab initio investigation of carbon-related defects in silicon,” Physical Review B, vol. 47, pp. 12554–12557, May 1993. [ bib | http | Abstract ]
[47]
J. Wang, T. A. Arias, J. D. Joannopoulos, G. W. Turner, and O. L. Alerhand, “Scanning-tunneling-microscopy signatures and chemical identifications of the (110) surface of si-doped gaas,” Physical Review B, vol. 47, pp. 10326–10334, April 1993. [ bib | http | Abstract ]
[48]
J. Wang, T. A. Arias, and J. D. Joannopoulos, “Dimer vacancies and dimer-vacancy complexes on the si(100) surface,” Physical Review B, vol. 47, pp. 10497–10508, April 1993. [ bib | http | Abstract ]
[49]
K. D. Brommer, B. E. Larson, M. Needels, and J. D. Joannopoulos, “Modeling large surface reconstructions on the Connection Machine,” Japanese Journal of Applied Physics, Part 1, vol. 32, pp. 1360–1367, March 1993. [ bib | http | Abstract ]
[50]
M. Galvan, A. Dal Pino, Jr., J. Wang, and J. D. Joannopoulos, “Local softness, scanning tunneling microscopy, and surface reactivity,” Journal of Physical Chemistry, vol. 97, pp. 783–785, January 1993. [ bib | Abstract ]
[51]
M. Galván, A. Dal Pino, Jr., and J. D. Joannopoulos, “Hardness and softness in the ab initio study of polyatomic systems,” Physical Review Letters, vol. 70, pp. 21–24, January 1993. [ bib | http | Abstract ]
[52]
A. Dal Pino, Jr., M. Galv'an, T. A. Arias, and J. D. Joannopoulos, “Chemical softness and impurity segregation at grain boundaries,” Journal of Chemical Physics, vol. 98, pp. 1606–1610, January 1993. See erratum: ibid, vol. 98, p. 10106. [ bib | http | Abstract ]
[53]
M. Galván, A. Dal Pino, Jr., and J. D. Joannopoulos, “Hardness and softness in the ab initio study of polyatomic systems,” Physical Review Letters, vol. 70, pp. 21–24, January 1993. [ bib | http | Abstract ]
[54]
T. A. Arias and J. D. Joannopoulos, “Ab initio prediction of dopant segregation at elemental semiconductor grain boundaries without coordination defects,” Physical Review Letters, vol. 69, pp. 3330–3333, December 1992. [ bib | http | Abstract ]
[55]
E. Kaxiras, O. L. Alerhand, J. Wang, and J. D. Joannopoulos, “Theoretical modeling of heteroepitaxial growth initiation,” Materials Science & Engineering B, vol. 14, pp. 245–253, November 1992. [ bib | DOI | Abstract ]
[56]
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, “Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients,” Reviews of Modern Physics, vol. 64, pp. 1045–1097, October 1992. [ bib | http | Abstract ]
[57]
M. Needels, A. M. Rappe, P. D. Bristowe, and J. D. Joannopoulos, “Ab initio study of a grain boundary in gold,” Physical Review B, vol. 46, pp. 9768–9771, October 1992. [ bib | http | Abstract ]
[58]
A. M. Rappe, A. al Pino, Jr., M. Needels, and J. D. Joannopoulos, “Mixed-basis pseudopotential method applied to iterative diagonalization techniques,” Physical Review B, vol. 46, pp. 7353–7357, September 1992. [ bib | http | Abstract ]
[59]
J. D. Joannopoulos and M. L. Cohen, “Electronic structure of crystalline polytypes and amorphous Si,” Physics Letters A, vol. 41, pp. 71–72, August 1992. [ bib | DOI | Abstract ]
[60]
T. A. Arias, M. C. Payne, and J. D. Joannopoulos, “Ab initio molecular dynamics: Analytically continued energy functionals and insights into iterative solutions,” Physical Review Letters, vol. 69, pp. 1077–1080, August 1992. [ bib | http | Abstract ]
[61]
A. M. Rappe, J. D. Joannopoulos, and P. A. Bash, “Test of utility of plane waves for the study of molecules from first principles,” Journal of the American Chemical Society, vol. 114, p. 6466, July 1992. [ bib | Abstract ]
[62]
R. H. Wolfe, M. Needels, T. Arias, and J. D. Joannopoulos, “Visual revelations from silicon ab initio calculations,” IEEE Computer Graphics and Applications, vol. 12, pp. 45–53, July 1992. [ bib | DOI | Abstract ]
[63]
K. Cho and J. D. Joannopoulos, “Ergodicity and dynamical properties of constant-temperature molecular dynamics,” Physical Review A, vol. 45, pp. 7089–7097, May 1992. [ bib | http | Abstract ]
[64]
K. D. Brommer, M. Needels, B. E. Larson, and J. D. Joannopoulos, “Ab initio theory of the Si(111)-(7×7) surface reconstruction: A challenge for massively parallel computation,” Physical Review Letters, vol. 68, pp. 1355–1358, March 1992. [ bib | http | Abstract ]
[65]
A. Dal Pino, Jr., M. Needels, and J. D. Joannopoulos, “Oxygen-induced broken-bond defect in silicon,” Physical Review B, vol. 45, pp. 3304–3308, February 1992. [ bib | http | Abstract ]
[66]
T. A. Arias, M. C. Payne, and J. D. Joannopoulos, “Ab initio molecular-dynamics techniques extended to large-length-scale systems,” Physical Review B, vol. 45, pp. 1538–1549, January 1992. [ bib | http | Abstract ]
[67]
O. L. Alerhand, J. Wang, J. D. Joannopoulos, E. Kaxiras, and R. S. Becker, “Adsorption of As on stepped Si(100): Resolution of the sublattice-orientation dilemma,” Physical Review B, vol. 44, pp. 6534–6537, September 1991. [ bib | http | Abstract ]
[68]
O. L. Alerhand, J. Wang, and J. D. Joannopoulos, “Growth of As overlayers on vicinal Si(100) surfaces,” Journal of Vacuum Science and Technology B, vol. 9, pp. 2423–2426, July 1991. [ bib | DOI | Abstract ]
[69]
M. Needels, J. D. Joannopoulos, Y. Bar-Yam, and S. T. Pantelides, “Oxygen complexes in silicon,” Physical Review B, vol. 43, pp. 4208–4215, February 1991. [ bib | http | Abstract ]
[70]
E. Tarnow, P. Dallot, P. D. Bristowe, J. D. Joannopoulos, G. P. Francis, and M. C. Payne, “Structural complexity in grain boundaries with covalent bonding,” Physical Review B, vol. 42, pp. 3644–3657, August 1990. [ bib | http | Abstract ]
[71]
O. L. Alerhand, A. N. Berker, J. D. Joannopoulos, D. Vanderbilt, R. J. Hamers, and J. E. Demuth, “Finite-temperature phase diagram of vicinal Si(100) surfaces,” Physical Review Letters, vol. 64, pp. 2406–2409, May 1990. [ bib | http | Abstract ]
[72]
E. Kaxiras, O. L. Alerhand, J. D. Joannopoulos, and G. W. Turner, “Thermodynamic and kinetic aspects of GaAs growth on Si(100),” Superlattices and Microstructures, vol. 8, no. 2, pp. 229–232, 1990. [ bib | DOI | Abstract ]
[73]
A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, “Optimized pseudopotentials,” Physical Review B, vol. 41, pp. 1227–1230, January 1990. [ bib | http | Abstract ]
[74]
E. Kaxiras and J. D. Joannopoulos, “On the possibility of two-dimensional growth of GaAs on atomically flat Si(100) surfaces,” Surface Science, vol. 224, pp. 515–524, December 1989. [ bib | DOI | Abstract ]
[75]
E. L. Shirley, D. C. Allan, R. M. Martin, and J. D. Joannopoulos, “Extended norm-conserving pseudopotentials,” Physical Review B, vol. 40, pp. 3652–3660, August 1989. [ bib | http | Abstract ]
[76]
O. L. Alerhand, E. Kaxiras, J. D. Joannopoulos, and G. W. Turner, “Model of epitaxial growth of GaAs on Si(100): Nucleation at surface steps,” Journal of Vacuum Science and Technology B, vol. 7, pp. 695–699, July 1989. [ bib | DOI | Abstract ]
[77]
D. Vanderbilt, O. L. Alerhand, R. D. Meade, and J. D. Joannopoulos, “Elastic stress domains of the Si(100) surface,” Journal of Vacuum Science and Technology B, vol. 7, pp. 1013–1016, July 1989. [ bib | DOI | Abstract ]
[78]
O. L. Alerhand, J. D. Joannopoulos, and E. J. Mele, “Thermal amplitudes of surface atoms on Si(111) 2×1 and Si(001) 2×1,” Physical Review B, vol. 39, pp. 12622–12629, June 1989. [ bib | http | Abstract ]
[79]
E. Kaxiras, O. L. Alerhand, J. D. Joannopoulos, and G. W. Turner, “Microscopic model of heteroepitaxy of GaAs on Si(100),” Physical Review Letters, vol. 62, pp. 2484–2486, May 1989. [ bib | http | Abstract ]
[80]
M. C. Payne, N. Roberts, R. J. Needs, M. Needels, and J. D. Joannopoulos, “Total energy and stress of metal and semiconductor surfaces,” Surface Science, vol. 211–212, pp. 1–20, April 1989. [ bib | DOI | Abstract ]
[81]
T. A. Arias and J. D. Joannopoulos, “Reexamination of magnetic effects in the Bose gas,” Physical Review B, vol. 39, pp. 4071–4078, March 1989. [ bib | http | Abstract ]
[82]
G. Gomez-Santos, J. D. Joannopoulos, and J. W. Negele, “Monte Carlo study of the quantum spin-1/2 Heisenberg antiferromagnet on the square lattice,” Physical Review B, vol. 39, pp. 4435–4443, March 1989. [ bib | http | Abstract ]
[83]
E. Tarnow, J. D. Joannopoulos, and M. C. Payne, “Antisites, antistructures, and bond-switching reactions in layered chalcogenides,” Physical Review B, vol. 39, pp. 6017–6024, March 1989. [ bib | http | Abstract ]
[84]
Y. Bar-Yam, S. T. Pantelides, and J. D. Joannopoulos, “Ab initio pseudopotential solid-state calculations of highly electronegative first-row elements,” Physical Review B, vol. 39, pp. 3396–3399, February 1989. [ bib | http | Abstract ]
[85]
E. Tarnow, M. C. Payne, and J. D. Joannopoulos, “Pairing of electrons by a point defect in c-As2Se3,” Physical Review Letters, vol. 61, pp. 1772–1775, October 1988. [ bib | http | Abstract ]
[86]
O. L. Alerhand, D. Vanderbilt, R. D. Meade, and J. D. Joannopoulos, “Spontaneous formation of stress domains on crystal surfaces,” Physical Review Letters, vol. 61, pp. 1973–1976, October 1988. [ bib | http | Abstract ]
[87]
M. Needels, M. C. Payne, and J. D. Joannopoulos, “High-order reconstructions of the Ge(100) surface,” Physical Review B, vol. 38, pp. 5543–5546, September 1988. [ bib | http | Abstract ]
[88]
X. Wang, Y. Bar-Yam, D. Adler, and J. D. Joannopoulos, “dc conductivity and the Meyer-Neldel rule in a-Si:H,” Physical Review B, vol. 38, pp. 1601–1604, July 1988. [ bib | http | Abstract ]
[89]
M. C. Payne, M. Needels, and J. D. Joannopoulos, “Symmetry breaking in the molecular-dynamics method for ab initio total-energy calculations,” Physical Review B, vol. 37, pp. 8138–8144, May 1988. [ bib | http | Abstract ]
[90]
E. Kaxiras and J. D. Joannopoulos, “Hydrogenation of semiconductor surfaces: Si and ge (111),” Physical Review B, vol. 37, pp. 8842–8848, May 1988. [ bib | http | Abstract ]
[91]
Y. Bar-Yam and J. D. Joannopoulos, “Theories of defects in amorphous semiconductors,” Journal of Non-Crystalline Solids, vol. 97–98, pp. 467–474, December 1987. [ bib | DOI | Abstract ]
[92]
G. Gomez-Santos and J. D. Joannopoulos, “Application of spin-wave theory to the ground state of XY quantum hamiltonians,” Physical Review B, vol. 36, pp. 8707–8711, December 1987. [ bib | http | Abstract ]
[93]
K. M. Rabe and J. D. Joannopoulos, “Theory of the structural phase transition of GeTe,” Physical Review B, vol. 36, pp. 6631–6639, October 1987. [ bib | http | Abstract ]
[94]
K. M. Rabe and J. D. Joannopoulos, “Ab initio determination of a structural phase transition temperature,” Physical Review Letters, vol. 59, pp. 570–573, August 1987. [ bib | http | Abstract ]
[95]
K. M. Rabe and J. D. Joannopoulos, “Structural properties of GeTe at T=0,” Physical Review B, vol. 36, pp. 3319–3324, August 1987. [ bib | http | Abstract ]
[96]
E. Kaxiras, Y. Bar-Yam, J. D. Joannopoulos, and K. C. Pandey, “Ab initio theory of polar semiconductor surfaces. i. methodology and the (2×2) reconstructions of GaAs(111),” Physical Review B, vol. 35, pp. 9625–9635, June 1987. [ bib | http | Abstract ]
[97]
E. Kaxiras, Y. Bar-Yam, J. D. Joannopoulos, and K. C. Pandey, “Ab initio theory of polar semiconductor surfaces. ii. (2×2) reconstructions and related phase transitions of GaAs(111),” Physical Review B, vol. 35, pp. 9636–9643, June 1987. [ bib | http | Abstract ]
[98]
M. Needels, M. C. Payne, and J. D. Joannopoulos, “Ab initio molecular dynamics on the Ge(100) surface,” Physical Review Letters, vol. 58, pp. 1765–1768, April 1987. [ bib | http | Abstract ]
[99]
M. C. Payne, P. D. Bristowe, and J. D. Joannopoulos, “Ab initio determination of the structure of a grain boundary by simulated quenching,” Physical Review Letters, vol. 58, pp. 1348–1351, March 1987. [ bib | http | Abstract ]
[100]
E. Tarnow, A. Antonelli, and J. D. Joannopoulos, “Crystalline As2Se3: Optical properties,” Physical Review B, vol. 34, pp. 8718–8727, December 1986. [ bib | http | Abstract ]
[101]
E. Tarnow, A. Antonelli, and J. D. Joannopoulos, “Crystalline As2Se3: Electronic and geometric structure,” Physical Review B, vol. 34, pp. 4059–4073, September 1986. [ bib | http | Abstract ]
[102]
E. Kaxiras, Y. Bar-Yam, J. D. Joannopoulos, and K. C. Pandey, “Variable stoichiometry surface reconstructions: New models for GaAs(111)(2×2) and (√(19)×√(19)),” Physical Review Letters, vol. 57, pp. 106–109, July 1986. [ bib | http | Abstract ]
[103]
Y. Bar-Yam, D. Adler, and J. D. Joannopoulos, “Structure and electronic states in disordered systems,” Physical Review Letters, vol. 57, pp. 467–470, July 1986. [ bib | http | Abstract ]
[104]
E. Kaxiras, K. C. Pandey, Y. Bar-Yam, and J. D. Joannopoulos, “Role of chemical potentials in surface reconstruction: A new model and phase transition of GaAs(111)2 ×2,” Physical Review Letters, vol. 56, pp. 2819–2822, June 1986. [ bib | http | Abstract ]
[105]
Y. Bar-Yam and J. D. Joannopoulos, “Dangling bond in a-Si:ZZH,” Physical Review Letters, vol. 56, pp. 2203–2206, May 1986. [ bib | http | Abstract ]
[106]
E. Kaxiras, Y. Bar-Yam, J. D. Joannopoulos, and K. C. Pandev, “(2×2) reconstructions of the {111} polar surfaces of GaAs,” Physical Review B, vol. 33, pp. 4406–4409, March 1986. [ bib | http | Abstract ]
[107]
A. Antonelli, E. Tarnow, and J. D. Joannopoulos, “New insight into the electronic structure of a As2Se3,” Physical Review B, vol. 33, pp. 2968–2971, February 1986. [ bib | http | Abstract ]
[108]
D. H. Lee, J. D. Joannopoulos, J. W. Negele, and D. P. Landau, “Symmetry analysis and Monte Carlo study of a frustrated antiferromagnetic planar (xy) model in two dimensions,” Physical Review B, vol. 33, pp. 450–475, January 1986. [ bib | http | Abstract ]
[109]
E. Tarnow, A. Antonelli, and J. D. Joannopoulos, “Ground state properties of crystalline As2Se3,” Journal of Non-Crystalline Solids, vol. 77–78, pp. 95–98, December 1985. [ bib | DOI | Abstract ]
[110]
Y. Bar-Yam and J. D. Joannopoulos, “Correlation energy of deep level traps in a-Si:H,” Journal of Non-Crystalline Solids, vol. 77–78, pp. 99–102, December 1985. [ bib | DOI | Abstract ]
[111]
K. M. Rabe and J. D. Joannopoulos, “Ab initio relativistic pseudopotential study of the zero-temperature structural properties of SnTe and PbTe,” Physical Review B, vol. 32, pp. 2302–2314, August 1985. [ bib | http | Abstract ]
[112]
D. H. Lee, J. D. Joannopoulos, and J. W. Negele, “Monte Carlo solution of antiferromagnetic quantum Heisenberg spin systems,” Physical Review B, vol. 30, pp. 1599–1602, August 1984. [ bib | http | Abstract ]
[113]
Y. Bar-Yam and J. D. Joannopoulos, “Electronic structure and total-energy migration barriers of silicon self-interstitials,” Physical Review B, vol. 30, pp. 1844–1852, August 1984. [ bib | http | Abstract ]
[114]
Y. Bar-Yam and J. D. Joannopoulos, “Silicon self-interstitial migration: Multiple paths and charge states,” Physical Review B, vol. 30, pp. 2216–2218, August 1984. [ bib | http | Abstract ]
[115]
D. H. Lee, R. G. Caflisch, J. D. Joannopoulos, and F. Y. Wu, “Antiferromagnetic classical XY model: A mean-field analysis,” Physical Review B, vol. 29, pp. 2680–2684, March 1984. [ bib | http | Abstract ]
[116]
Y. Bar-Yam and J. D. Joannopoulos, “Barrier to migration of the silicon self-interstitial,” Physical Review Letters, vol. 52, pp. 1129–1132, March 1984. [ bib | http | Abstract ]
[117]
D. H. Lee and J. D. Joannopoulos, “Magnetic properties of the Si(111) unreconstructed surface,” Physical Review B, vol. 29, pp. 1472–1473, February 1984. [ bib | http | Abstract ]
[118]
D. H. Lee, J. D. Joannopoulos, J. W. Negele, and D. P. Landau, “Discrete-symmetry breaking and novel critical phenomena in an antiferromagnetic planar (XY) model in two dimensions,” Physical Review Letters, vol. 42, pp. 433–436, February 1984. [ bib | http | Abstract ]
[119]
D. Vanderbilt and J. D. Joannopoulos, “Total energies of structural defects in glassy Se,” Journal of Non-Crystalline Solids, vol. 59–60, pp. 937–944, December 1983. [ bib | DOI | Abstract ]
[120]
J. Ihm, D. H. Lee, J. D. Joannopoulos, and J. J. Xiong, “Structural phase diagrams for the surface of a solid: A total-energy, renormalization-group approach,” Physical Review Letters, vol. 51, pp. 1872–1875, November 1983. [ bib | http | Abstract ]
[121]
J. Ihm, D. H. Lee, J. D. Joannopoulos, and A. N. Berker, “Study of high order reconstructions of the Si(100) surface,” Journal of Vacuum Science and Technology B, vol. 1, pp. 705–708, July 1983. [ bib | DOI | Abstract ]
[122]
D. Vanderbilt and J. D. Joannopoulos, “Total energies in Se. I. the trigonal crystal,” Physical Review B, vol. 27, pp. 6296–6301, May 1983. [ bib | http | Abstract ]
[123]
D. Vanderbilt and J. D. Joannopoulos, “Total energies in Se. II. vacancy in the crystal,” Physical Review B, vol. 27, pp. 6302–6310, May 1983. [ bib | http | Abstract ]
[124]
D. Vanderbilt and J. D. Joannopoulos, “Total energies in Se. II. defects in the glass,” Physical Review B, vol. 27, pp. 6311–6321, May 1983. [ bib | http | Abstract ]
[125]
J. Ihm, D. J. Chadi, and J. D. Joannopoulos, “Study of the reconstructed GaAs(100) surface,” Physical Review B, vol. 27, pp. 5119–5121, April 1983. [ bib | http | Abstract ]
[126]
D. J. Chadi, J. Ihm, C. Tanner, and J. D. Joannopoulos, “Theoretical study of the As(100) surface reconstruction of GaAs,” Physica B+C, vol. 117–118, pp. 798–800, March 1983. [ bib | DOI | Abstract ]
[127]
A. D. Stone, D. C. Allan, and J. D. Joannopoulos, “Phase randomness in the one-dimensional Anderson model,” Physical Review B, vol. 27, pp. 836–843, January 1983. [ bib | http | Abstract ]
[128]
J. Ihm and J. D. Joannopoulos, “Structure of the Al-GaAs(110) interface from an energy-minimization approach,” Physical Review B, vol. 26, pp. 4429–4435, October 1982. [ bib | http | Abstract ]
[129]
D. Vanderbilt and J. D. Joannopoulos, “Bonding coordination defect in g-Se: A “positive-U” system,” Physical Review Letters, vol. 49, pp. 823–826, September 1982. [ bib | http | Abstract ]
[130]
D. Vanderbilt and J. D. Joannopoulos, “Off-diagonal occupation numbers in local-density theory,” Physical Review B, vol. 26, pp. 3203–3210, September 1982. [ bib | http | Abstract ]
[131]
J. Ihm and J. D. Joannopoulos, “First-principles determination of the structure of the Al/GaAs(110) surface,” Journal of Vacuum Science and Technology, vol. 21, pp. 340–343, July 1982. [ bib | DOI | Abstract ]
[132]
D. H. Lee and J. D. Joannopoulos, “Ideal and relaxed surfaces of SiC,” Journal of Vacuum Science and Technology, vol. 21, pp. 351–357, July 1982. [ bib | DOI | Abstract ]
[133]
D. H. Lee and J. D. Joannopoulos, “Simple scheme for deriving atomic force constants: Application to SiC,” Physical Review Letters, vol. 48, pp. 1846–1849, June 1982. [ bib | http | Abstract ]
[134]
K.-M. Ho, J. Ihm, and J. D. Joannopoulos, “Dielectric matrix scheme for fast convergence in self-consistent electronic-structure calculations,” Physical Review B, vol. 25, pp. 4260–4262, March 1982. [ bib | http | Abstract ]
[135]
D. H. Lee and J. D. Joannopoulos, “A new theory of electronic surface states,” Journal of Vacuum Science and Technology, vol. 19, pp. 355–359, September 1981. [ bib | DOI | Abstract ]
[136]
E. J. Mele and J. D. Joannopoulos, “Electronic structure of the zinc-blende and rocksalt phases of InSb,” Physical Review B, vol. 24, pp. 3145–3154, September 1981. [ bib | http | Abstract ]
[137]
A. D. Stone and J. D. Joannopoulos, “Probability distribution and new scaling law for the resistance of a one-dimensional Anderson model,” Physical Review B, vol. 24, pp. 3592–3595, September 1981. [ bib | http | Abstract ]
[138]
J. Ihm and J. D. Joannopoulos, “Structural energies of A1 deposited on the GaAs(110) surface,” Physical Review Letters, vol. 47, pp. 679–682, August 1981. [ bib | http | Abstract ]
[139]
D. H. Lee and J. D. Joannopoulos, “Simple scheme for surface-band calculations. I,” Physical Review B, vol. 23, pp. 4988–4996, May 1981. Erratum: Phys. Rev. Lett., vol. 52, p. 1054 (1984). [ bib | http | Abstract ]
[140]
D. H. Lee and J. D. Joannopoulos, “Simple scheme for surface-band calculations. II. the Green's function,” Physical Review B, vol. 23, pp. 4997–5004, May 1981. [ bib | http | Abstract ]
[141]
W. B. Pollard and J. D. Joannopoulos, “Vibrational properties of amorphous silicon alloys,” Physical Review B, vol. 23, pp. 5263–5268, May 1981. [ bib | http | Abstract ]
[142]
D. Vanderbilt and J. D. Joannopoulos, “Theory of defect states in glassy As2Se3,” Physical Review B, vol. 23, pp. 2596–2606, March 1981. [ bib | http | Abstract ]
[143]
Y. Wang and J. D. Joannopoulos, “The Ga core exciton at unrelaxed GaAs (110),” Journal of Vacuum Science and Technology, vol. 17, pp. 997–1000, September 1980. [ bib | DOI | Abstract ]
[144]
D. H. Lee and J. D. Joannopoulos, “Surface states at unrelaxed ZnO(1010),” Journal of Vacuum Science and Technology, vol. 17, pp. 987–988, September 1980. [ bib | DOI | Abstract ]
[145]
D. Vanderbilt and J. D. Joannopoulos, “Theory of defect states in glassy selenium,” Physical Review B, vol. 22, pp. 2927–2939, September 1980. [ bib | http | Abstract ]
[146]
D. Vanderbilt and J. D. Joannopoulos, “Structural excitation energies in Selenium,” Solid State Communications, vol. 35, pp. 535–538, August 1980. [ bib | DOI | Abstract ]
[147]
R. B. Laughlin, J. D. Joannopoulos, and D. J. Chadi, “Theory of the electronic structure of the Si-SiO2 interface,” Physical Review B, vol. 21, pp. 5733–5744, June 1980. [ bib | http | Abstract ]
[148]
D. C. Allan and J. D. Joannopoulos, “Electronic structure of hydrogenated amorphous silicon,” Physical Review Letters, vol. 44, pp. 43–47, January 1980. [ bib | http | Abstract ]
[149]
W. B. Pollard and J. D. Joannopoulos, “Vibrational excitations of defect sites in amorphous group-V semiconductors,” Physical Review B, vol. 21, pp. 760–766, January 1980. [ bib | http | Abstract ]
[150]
R. B. Laughlin, J. D. Joannopoulos, and D. J. Chadi, “Bulk electronic structure of SiO2,” Physical Review B, vol. 20, pp. 5228–5237, December 1979. [ bib | http | Abstract ]
[151]
G. Doerre and J. D. Joannopoulos, “Electronic states of Te above the high-pressure phase transition,” Physical Review Letters, vol. 1040–1042, pp. 1040–1042, October 1979. [ bib | http | Abstract ]
[152]
R. B. Laughlin, J. D. Joannopoulos, and D. J. Chadi, “Use of the cluster–Bethe-lattice method in surface studies,” Journal of Vacuum Science and Technology, vol. 16, pp. 1327–1330, September 1979. [ bib | DOI | Abstract ]
[153]
E. J. Mele and J. D. Joannopoulos, “Electronic structure of Al chemisorbed on GaAs(110),” Journal of Vacuum Science and Technology, vol. 16, pp. 1154–1158, September 1979. [ bib | DOI | Abstract ]
[154]
W. B. Pollard and J. D. Joannopoulos, “Electronic structure of defects in amorphous arsenic,” Physical Review B, vol. 19, pp. 4217–4223, April 1979. [ bib | http | Abstract ]
[155]
E. J. Mele and J. D. Joannopoulos, “Surface-barrier formation for A1 chemisorbed on GaAs(110),” Physical Review Letters, vol. 42, pp. 1094–1097, April 1979. [ bib | http | Abstract ]
[156]
D. Vanderbilt and J. D. Joannopoulos, “Calculation of defect states in amorphous selenium,” Physical Review Letters, vol. 42, pp. 1012–1015, April 1979. [ bib | http | Abstract ]
[157]
E. J. Mele and J. D. Joannopoulos, “Double-dangling-bond defects and band bending at the GaAs (110) surface,” Physical Review B, vol. 19, pp. 2928–2932, March 1979. [ bib | http | Abstract ]
[158]
J. D. Joannopoulos, “Use of Cayley trees to study excitations in disordered solids,” Journal of Non-Crystalline Solids, vol. 32, pp. 241–255, February 1979. [ bib | DOI | Abstract ]
[159]
T. Starkloff and J. D. Joannopoulos, “Theory of the pressure dependence of the electronic and optical properties of trigonal Te,” Physical Review B, vol. 19, pp. 1077–1088, January 1979. [ bib | http | Abstract ]
[160]
W. B. Pollard and J. D. Joannopoulos, “Vibrational excitations at defect sites in amorphous tetrahedral and pnictide semiconductors,” Journal of Non-Crystalline Solids, vol. 35–36, pp. 1179–1184, January 1979. [ bib | DOI | Abstract ]
[161]
J. D. Joannopoulos, “Theoretical calculations of defect states in amorphous semiconductors,” Journal of Non-Crystalline Solids, vol. 35–36, pp. 781–792, January 1979. [ bib | DOI | Abstract ]
[162]
E. J. Mele and J. D. Joannopoulos, “Theory of oxygen chemisorption on GaAs(110),” Physical Review B, vol. 18, pp. 6999–7010, December 1978. [ bib | http | Abstract ]
[163]
E. J. Mele and J. D. Joannopoulos, “Intrinsic surface states and Fermi-level pinning at metal–semiconductor interfaces,” Journal of Vacuum Science and Technology, vol. 15, pp. 1370–1373, July 1978. [ bib | DOI | Abstract ]
[164]
J. D. Joannopoulos and E. J. Mele, “Extrinsic surface states for oxygen chemisorbed on the GaAs (110) surface,” Journal of Vacuum Science and Technology, vol. 15, pp. 1287–1289, July 1978. [ bib | DOI | Abstract ]
[165]
R. B. Laughlin and J. D. Joannopoulos, “Theory of surface phonons in amorphous silica,” Physical Review B, vol. 17, pp. 4922–4930, June 1978. [ bib | http | Abstract ]
[166]
R. J. Nemanich, G. Lucovsky, W. Pollard, and J. D. Joannopoulos, “Spectroscopic evidence for bonding coordination defects in amorphous As,” Solid State Communications, vol. 26, pp. 137–139, April 1978. [ bib | DOI | Abstract ]
[167]
R. B. Laughlin and J. D. Joannopoulos, “Effect of second-nearest-neighbor forces on the vibrations of amorphous SiO2,” Physical Review B, vol. 17, pp. 2790–2792, March 1978. [ bib | http | Abstract ]
[168]
R. B. Laughlin, J. D. Joannopoulos, C. A. Murray, K. J. Hartnett, and T. J. Greytak, “Intrinsic surface phonons in porous glass,” Physical Review Letters, vol. 40, pp. 461–465, February 1978. [ bib | http | Abstract ]
[169]
E. J. Mele and J. D. Joannopoulos, “Theory of metal-semiconductor interfaces,” Physical Review B, vol. 17, pp. 1528–1539, February 1978. [ bib | http | Abstract ]
[170]
W. B. Pollard and J. D. Joannopoulos, “Excitations in amorphous pyramidally bonded solids. I. electrons,” Physical Review B, vol. 17, pp. 1770–1777, February 1978. [ bib | http | Abstract ]
[171]
W. B. Pollard and J. D. Joannopoulos, “Excitations in amorphous pyramidally bonded solids. II. phonons,” Physical Review B, vol. 17, pp. 1778–1784, February 1978. [ bib | http | Abstract ]
[172]
E. J. Mele and J. D. Joannopoulos, “Electronic states at unrelaxed and relaxed GaAs (110) surfaces,” Physical Review B, vol. 17, pp. 1816–1827, February 1978. [ bib | http | Abstract ]
[173]
E. J. Mele and J. D. Joannopoulos, “Site of oxygen chemisorption on the GaAs(110) surface,” Physical Review Letters, vol. 40, pp. 341–344, January 1978. [ bib | http | Abstract ]
[174]
T. Starkloff and J. D. Joannopoulos, “Local pseudopotential theory for transition metals,” Physical Review B, vol. 16, pp. 5212–5215, December 1977. [ bib | http | Abstract ]
[175]
J. D. Joannopoulos, “Theory of fluctuations and localized states in amorphous tetrahedrally bounded solids,” Physical Review B, vol. 16, pp. 2764–2774, September 1977. [ bib | http | Abstract ]
[176]
R. B. Laughlin and J. D. Joannopoulos, “Phonons in amorphous silica,” Physical Review B, vol. 16, pp. 2942–2952, September 1977. [ bib | http | Abstract ]
[177]
E. J. Mele and J. D. Joannopoulos, “Electronic states near the band gap for the GaAs(110) surface,” Surface Science, vol. 66, pp. 38–44, August 1977. [ bib | DOI | Abstract ]
[178]
J. D. Joannopoulos, T. Starkloff, and M. Kastner, “Theory of pressure dependence of the density of states and reflectivity of selenium,” Physical Review Letters, vol. 38, pp. 660–663, March 1977. [ bib | http | Abstract ]
[179]
E. J. Mele and J. D. Joannopoulos, “Gaussian relaxation method. I. homopolar tetrahedral solids,” Physical Review B, vol. 15, pp. 901–908, January 1977. [ bib | http | Abstract ]
[180]
J. D. Joannopoulos and W. B. Pollard, “Electrons and phonons in amorphous pyramidally bonded solids,” Solid State Communications, vol. 20, pp. 947–950, December 1976. [ bib | DOI | Abstract ]
[181]
F. Yndurain and J. D. Joannopoulos, “Study of the electronic local density of states using the cluster-Bethe-lattice method: Application to amorphous III-V semiconductors,” Physical Review B, vol. 14, pp. 3569–3577, October 1976. [ bib | http | Abstract ]
[182]
J. D. Joannopoulos and M. Kastner, “Evidence for weak s-p hybridization in chalcogens,” Solid State Communications, vol. 17, pp. 221–224, July 1975. [ bib | DOI | Abstract ]
[183]
F. Yndurain and J. D. Joannopoulos, ““cluster–Bethe-lattice” method: The electronic density of states of heteropoloar systems,” Physical Review B, vol. 11, pp. 2957–2964, April 1975. [ bib | http | Abstract ]
[184]
J. D. Joannopoulos, M. chlüter, and M. L. Cohen, “Electronic structure of trigonal and amorphous Se and Te,” Physical Review B, vol. 11, pp. 2186–2199, March 1975. [ bib | http | Abstract ]
[185]
J. D. Joannopoulos and F. Yndurain, “Moments and averages of the electronic density of states of amorphous and crystalline homopolar solids,” Physics Letters A, vol. 51, pp. 79–80, February 1975. [ bib | DOI | Abstract ]
[186]
J. D. Joannopoulos and M. L. Cohen, “Intrinsic surface states of (110) surfaces of group IV and III-V semiconductors,” Physical Review B, vol. 10, pp. 5075–5081, December 1974. [ bib | http | Abstract ]
[187]
J. D. Joannopoulos and F. Yndurain, ““cluster-Bethe-lattice” method: Electronic density of states of amorphous and crystalline homopolar solids,” Physical Review B, vol. 10, pp. 5164–5174, December 1974. [ bib | http | Abstract ]
[188]
M. Schlüter, J. D. Joannopoulos, M. L. Cohen, L. Ley, S. P. Kowalczyk, R. A. Pollak, and D. A. Shirley, “Structural nature of amorphous Se and Te,” Solid State Communications, vol. 15, pp. 1007–1010, September 1974. [ bib | DOI | Abstract ]
[189]
J. D. Joannopoulos and M. L. Cohen, “Effects of disorder on the electronic density of states of III-V compounds,” Physical Review B, vol. 10, pp. 1545–1559, August 1974. [ bib | http | Abstract ]
[190]
F. Yndurain, J. D. Joannopoulos, M. L. Cohen, and L. M. Falicov, “New theoretical method to study densities of states of tetrahedrally coordinated solids,” Solid State Communications, vol. 15, pp. 617–620, August 1974. [ bib | DOI | Abstract ]
[191]
J. D. Joannopoulos and M. L. Cohen, “Electronic density of states of amorphous III–V semiconductors,” Solid State Communications, vol. 15, pp. 105–108, July 1974. [ bib | DOI | Abstract ]
[192]
M. Schlüter, J. D. Joannopoulos, and M. L. Cohen, “New interpretation of the soft-X-ray absorption spectra of several alkali halides,” Physical Review Letters, vol. 33, pp. 89–91, July 1974. [ bib | http | Abstract ]
[193]
M. Schlüter, J. D. Joannopoulos, and M. L. Cohen, “New interpretation of photoemission measurements of trigonal Se and Te,” Physical Review Letters, vol. 33, p. 337, July 1974. [ bib | http ]
[194]
J. D. Joannopoulos and M. L. Cohen, “New insight into the optical properties of amorphous Ge and Si,” Solid State Communications, vol. 13, pp. 1115–1118, October 1973. [ bib | DOI | Abstract ]
[195]
J. D. Joannopoulos and M. L. Cohen, “Electronic properties of complex crystalline and amorphous phases of Ge and Si. II. band structure and optical properties,” Physical Review B, vol. 8, pp. 2733–2755, September 1973. [ bib | http | Abstract ]
[196]
J. D. Joannopoulos and M. L. Cohen, “Electronic properties of complex crystalline and amorphous phases of Ge and Si. I. density of states and band structures,” Physical Review B, vol. 7, pp. 2644–2657, March 1973. [ bib | http | Abstract ]
[197]
R. A. Pollak, L. Ley, S. Kowalczyk, D. A. Shirley, J. D. Joannopoulos, D. J. Chadi, and M. L. Cohen, “X-ray photoemission valence-band spectra and theoretical valence-band densities of states for Ge, GaAs, and ZnSe,” Physical Review Letters, vol. 29, pp. 1103–1105, October 1972. [ bib | http | Abstract ]
[198]
J. D. Joannopoulos and M. L. Cohen, “Comparison of the electronic structure of amorphous and crystalline polytopes of Ge,” Solid State Communications, vol. 11, pp. 549–553, August 1972. [ bib | DOI | Abstract ]

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