Ab initio pseudopotential study of structural and high-pressure properties of SiC
作者： K. J. Chang , Marvin L. Cohen
关键词:
摘要: … the structural properties of SiC at low and high pressures. For cubic SiC, the calculated … The indirect band gap of cubic SiC is predicted to decrease with increasing pressure; this …
harvard.edu
osti.gov
sci-hub.se 参考文章(28)
J. C. PHILLIPS, Ionicity of the Chemical Bond in Crystals Reviews of Modern Physics. ,vol. 42, pp. 317- 356 ,(1970) , 10.1103/REVMODPHYS.42.317
M. Cardona, PRESSURE DEPENDENCE OF DYNAMICAL CHARGES AND IONICITY OF SEMICONDUCTORS Le Journal De Physique Colloques. ,vol. 45, ,(1984) , 10.1051/JPHYSCOL:1984806
M. T. Yin, Marvin L. Cohen, Ground-state properties of diamond Physical Review B. ,vol. 24, pp. 6121- 6124 ,(1981) , 10.1103/PHYSREVB.24.6121
M. T. Yin, Marvin L. Cohen, Will Diamond Transform under Megabar Pressures? Physical Review Letters. ,vol. 50, pp. 2006- 2009 ,(1983) , 10.1103/PHYSREVLETT.50.2006
M. T. Yin, Si-III (BC-8) crystal phase of Si and C: Structural properties, phase stabilities, and phase transitions Physical Review B. ,vol. 30, pp. 1773- 1776 ,(1984) , 10.1103/PHYSREVB.30.1773
Rana Biswas, Richard M. Martin, R. J. Needs, O. H. Nielsen, Complex tetrahedral structures of silicon and carbon under pressure Physical Review B. ,vol. 30, pp. 3210- 3213 ,(1984) , 10.1103/PHYSREVB.30.3210
M. T. Yin, Marvin L. Cohen, THEORY OF STATIC STRUCTURAL PROPERTIES, CRYSTAL STABILITY, AND PHASE TRANSFORMATIONS: APPLICATION TO Si AND Ge Physical Review B. ,vol. 26, pp. 5668- 5687 ,(1982) , 10.1103/PHYSREVB.26.5668
K. J. Chang, Marvin L. Cohen, Structural and electronic properties of the high-pressure hexagonal phases of Si Physical Review B. ,vol. 30, pp. 5376- 5378 ,(1984) , 10.1103/PHYSREVB.30.5376
K. J. Chang, Marvin L. Cohen, Solid-solid phase transitions and soft phonon modes in highly condensed Si. Physical Review B. ,vol. 31, pp. 7819- 7826 ,(1985) , 10.1103/PHYSREVB.31.7819
K. J. Chang, Marvin L. Cohen, First-principles study of the structural properties of Ge. Physical Review B. ,vol. 34, pp. 8581- 8590 ,(1986) , 10.1103/PHYSREVB.34.8581