J A Chisholm et al 1999 J. Phys.: Condens. Matter 11 L235 doi:10.1088/0953-8984/11/22/102
Classical simulations of the properties of group-III nitrides
J A Chisholm, D W Lewis and P D Bristowe
Show affiliationsLETTER TO THE EDITOR
We present interatomic pair potential parameters derived for the GaInAlN system. Potentials are fitted to bulk material properties, such as lattice constants and elastic and dielectric constants, and are then employed to calculate Schottky and Frenkel defect energies in GaN, InN and AlN. Schottky defects are found to be lower in energy than Frenkel defects, suggesting that vacancies are more readily formed in the group-III nitrides. The formation energies of both Schottky and Frenkel defects in all the nitrides are found to depend on the size of the cation. Solution energies indicate that InN readily dissolves in both GaN and AlN, at least at low concentration.
- PACS
-
77.22.Ch Permittivity (dielectric function)
- Subjects
- Dates
-
Issue 22 (7 June 1999)
Received 12 March 1999
-
Classical simulations of the properties of group-III nitrides
J A Chisholm et al 1999 J. Phys.: Condens. Matter 11 L235
-
Activation of interfacial enzymes at membrane surfaces
Ole G Mouritsen et al 2006 J. Phys.: Condens. Matter 18 S1293
-
Toward endobronchial Ir-192 high-dose-rate brachytherapy therapeutic optimization
H A Gay et al 2007 Phys. Med. Biol. 52 2987
-
Optical Constants of Palladium Phthalocyanine Derivative Thin Films
Wu Yi-Qun et al 2002 Chinese Phys. Lett. 19 1700
-
Time in quantum mechanics and quantum field theory
Z Y Wang et al 2003 J. Phys. A: Math. Gen. 36 5135
-
Angular momentum and Heisenberg's correspondence principle
S C McFarlane 1992 J. Phys. B: At. Mol. Opt. Phys. 25 4045
-
Science from detection of neutrinos from supernovae
R N Boyd et al 2003 J. Phys. G: Nucl. Part. Phys. 29 2543
-
Significance of c /
in relativistic physics
C Chicone and B Mashhoon 2004 Class. Quantum Grav. 21 L139
-
Short pulse transient x-ray laser research at LSAI
Annie Klisnick et al 2001 Meas. Sci. Technol. 12 1813
-
Quantifying effective magnetic moments of narrow cylindrical objects in MRI
Yu-Chung N Cheng et al 2009 Phys. Med. Biol. 54 7025