First-principles calculations of diffusion constants in silicon
Peter E. Bloechl, C.G. Van de Walle, et al.
Symposium on Process Physics and Modeling in Semiconductor Technology 1990
We report an application of self-consistent pseudopotential Green's-function calculations to the problem of identification of defects in GaP. The results are in agreement with and support the EPR-based identification of the P antisite defect, but contradict the assumptions that led to the identification of the Ga vacancy. We reexamine other possibilities using the results of our calculations and find that C at Ga sites is the only center whose properties are consistent with the available data. © 1981 The American Physical Society.
Peter E. Bloechl, C.G. Van de Walle, et al.
Symposium on Process Physics and Modeling in Semiconductor Technology 1990
M. Altarelli, N.O. Lipari
Physical Review B
J.H. Stathis, S.T. Pantelides
Physical Review B
D.B. Laks, C.G. Van De Walle, et al.
Physical Review B