Bibliography

FGH+14

Christoph Freysoldt, Blazej Grabowski, Tilmann Hickel, Jörg Neugebauer, Georg Kresse, Anderson Janotti, and Chris G. Van de Walle. First-principles calculations for point defects in solids. Rev. Mod. Phys., 86:253–305, Mar 2014. doi:10.1103/RevModPhys.86.253.

FNVdW09

Christoph Freysoldt, Jörg Neugebauer, and Chris G. Van de Walle. Fully ab initio finite-size corrections for charged-defect supercell calculations. Phys. Rev. Lett., 102:016402, Jan 2009. doi:10.1103/PhysRevLett.102.016402.

KO14

Yu Kumagai and Fumiyasu Oba. Electrostatics-based finite-size corrections for first-principles point defect calculations. Phys. Rev. B, 89:195205, May 2014. doi:10.1103/PhysRevB.89.195205.

LVdW17

John L. Lyons and Chris G. Van de Walle. Computationally predicted energies and properties of defects in gan. npj Computational Materials, 3(1):12, 2017. doi:10.1038/s41524-017-0014-2.

MWC98

Jr Malcolm W. Chase. NIST-JANAF thermochemical tables. Fourth edition. Washington, DC : American Chemical Society ; New York : American Institute of Physics for the National Institute of Standards and Technology, 1998., 1998. URL: https://search.library.wisc.edu/catalog/999842910902121.

PTA+92

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. Rev. Mod. Phys., 64:1045–1097, Oct 1992. doi:10.1103/RevModPhys.64.1045.

ZN91

S. B. Zhang and John E. Northrup. Chemical potential dependence of defect formation energies in gaas: application to ga self-diffusion. Phys. Rev. Lett., 67:2339–2342, Oct 1991. doi:10.1103/PhysRevLett.67.2339.