Stability of the sc16 polymorph of GaAs

Lavina, B.; Zanardi, E.; Mujica, A.; Cynn, H.; Tkachev, S.

doi:10.1016/j.jpcs.2021.110233

Stability of the sc16 polymorph of GaAs

Journal Article · 01 December 2021 · J. Phys. Chem. Solids

DOI:https://doi.org/10.1016/j.jpcs.2021.110233· OSTI ID:1819343

Lavina, B.; Zanardi, E.; Mujica, A.; Cynn, H.; Tkachev, S.

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; National Science Foundation (NSF)

OSTI ID:: 1819343

Journal Information:: J. Phys. Chem. Solids, Vol. 159

Country of Publication:: United States

Language:: ENGLISH

References (30)

Pressure induced phase transitions in silicon, germanium and some III–V compounds Minomura, S.; Drickamer, H. G. Journal of Physics and Chemistry of Solids, Vol. 23, Issue 5 https://doi.org/10.1016/0022-3697(62)90085-9	journal	May 1962
The Cmcm structure as a stable phase of binary compounds: application to GaAs-II Mujica, Andrés; Needs, R. J. Journal of Physics: Condensed Matter, Vol. 8, Issue 15 https://doi.org/10.1088/0953-8984/8/15/001	journal	April 1996
Nonexistence of the Diatomic β -Tin Structure Nelmes, R. J.; McMahon, M. I.; Belmonte, S. A. Physical Review Letters, Vol. 79, Issue 19 https://doi.org/10.1103/PhysRevLett.79.3668	journal	November 1997
High-pressure phases of group-IV, III–V, and II–VI compounds Mujica, A.; Rubio, Angel; Muñoz, A. Reviews of Modern Physics, Vol. 75, Issue 3 https://doi.org/10.1103/RevModPhys.75.863	journal	July 2003
Observation of a Cinnabar Phase in GaAs at High Pressure McMahon, M. I.; Nelmes, R. J. Physical Review Letters, Vol. 78, Issue 19 https://doi.org/10.1103/PhysRevLett.78.3697	journal	May 1997
Observation of a Simple-Cubic Phase of GaAs with a 16-Atom Basis (SC16) McMahon, M. I.; Nelmes, R. J.; Allan, D. R. Physical Review Letters, Vol. 80, Issue 25 https://doi.org/10.1103/PhysRevLett.80.5564	journal	June 1998
Observation of a Wurtzite Form of Gallium Arsenide McMahon, M. I.; Nelmes, R. J. Physical Review Letters, Vol. 95, Issue 21 https://doi.org/10.1103/PhysRevLett.95.215505	journal	November 2005
Tetrahedral structures and phase transitions in III-V semiconductors Crain, J.; Piltz, R. O.; Ackland, G. J. Physical Review B, Vol. 50, Issue 12 https://doi.org/10.1103/PhysRevB.50.8389	journal	September 1994
First-principles pseudopotential study of the phase stability of the III-V semiconductors GaAs and AlAs Mujica, A.; Needs, R. J.; Muñoz, A. Physical Review B, Vol. 52, Issue 12 https://doi.org/10.1103/PhysRevB.52.8881	journal	September 1995
Two New Forms of Silicon Wentorf, R. H.; Kasper, J. S. Science, Vol. 139, Issue 3552 https://doi.org/10.1126/science.139.3552.338-a	journal	January 1963
Comparative Study of Novel Structures in Silicon and Germanium Mujica, A.; Radescu, S.; Mu�oz, A. physica status solidi (b), Vol. 223, Issue 2 https://doi.org/10.1002/1521-3951(200101)223:2<379::AID-PSSB379>3.0.CO;2-2	journal	January 2001
Amorphization from the quenched high-pressure phase in tetrahedrally-bonded materials Tsuji, K.; Katayama, Y.; Yamamoto, Y. Journal of Physics and Chemistry of Solids, Vol. 56, Issue 3-4 https://doi.org/10.1016/0022-3697(94)00240-1	journal	March 1995
Stability and electronic structure of the cinnabar phase in GaAs Kelsey, A. A.; Ackland, G. J.; Clark, S. J. Physical Review B, Vol. 57, Issue 4 https://doi.org/10.1103/PhysRevB.57.R2029	journal	January 1998
Phase transformation of GaAs at high pressures and temperatures Ono, Shigeaki; Kikegawa, Takumi Journal of Physics and Chemistry of Solids, Vol. 113 https://doi.org/10.1016/j.jpcs.2017.10.005	journal	February 2018
Phosphorus Dimerization in Gallium Phosphide at High Pressure Lavina, Barbara; Kim, Eunja; Cynn, Hyunchae Inorganic Chemistry, Vol. 57, Issue 5 https://doi.org/10.1021/acs.inorgchem.7b02478	journal	February 2018
The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source Rivers, Mark; Prakapenka, Vitali; Kubo, Atsushi High Pressure Research, Vol. 28, Issue 3 https://doi.org/10.1080/08957950802333593	journal	September 2008
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Precision and efficiency in solid-state pseudopotential calculations Prandini, Gianluca; Marrazzo, Antimo; Castelli, Ivano E. npj Computational Materials, Vol. 4, Issue 1 https://doi.org/10.1038/s41524-018-0127-2	journal	December 2018
Reproducibility in density functional theory calculations of solids Lejaeghere, K.; Bihlmayer, G.; Bjorkman, T. Science, Vol. 351, Issue 6280 https://doi.org/10.1126/science.aad3000	journal	March 2016
Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions Mao, H. K.; Xu, J.; Bell, P. M. Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676 https://doi.org/10.1029/JB091iB05p04673	journal	January 1986
Ordered Superstructure of InSb-IV Nelmes, R. J.; McMahon, M. I. Physical Review Letters, Vol. 74, Issue 1 https://doi.org/10.1103/PhysRevLett.74.106	journal	January 1995
Theoretical study of the cinnabar phases in GaAs and GaP Mujica, A.; Muñoz, A.; Needs, R. J. Physical Review B, Vol. 57, Issue 3 https://doi.org/10.1103/PhysRevB.57.1344	journal	January 1998
High-pressure phase transition and phase diagram of gallium arsenide Besson, J. M.; Itié, J. P.; Polian, A. Physical Review B, Vol. 44, Issue 9 https://doi.org/10.1103/PhysRevB.44.4214	journal	September 1991

Similar Records

Stability of the sc16 polymorph of GaAs

Journal Article · 2021 · Journal of Physics and Chemistry of Solids · OSTI ID:1837067

Lavina, B.; Zanardi, E.; Mujica, A.; +2 more

Stability of the sc16 polymorph of GaAs

Journal Article · 2021 · Journal of Physics and Chemistry of Solids · OSTI ID:1840104

Lavina, B.; Zanardi, E.; Mujica, A.; +2 more

Stability and band offsets of heterovalent superlattices: Si/GaP, Ge/GaAs, and Si/GaAs

Journal Article · 1990 · Physical Review, B: Condensed Matter; (USA) · OSTI ID:6520991

Dandrea, R G; Froyen, S; Zunger, A

Stability of the sc16 polymorph of GaAs

Citation Formats

References (30)

Similar Records

Related Subjects