Methods Used for Calculating Band Structures of Layered Materials
作者： C. Y. Fong
DOI: 10.1007/978-94-009-9370-9_2
关键词: Secular equation 、 Layer (object-oriented design) 、 Statistical physics 、 Computer science 、 Order (group theory)
摘要: In this chapter we shall review the main aspects of various methods which have been applied to calculate band structures layer compounds. Our objective is discussions self-contained such that amount information provided here will be in sufficient detail analyze results. The discussed chronological order appearance compound calculations literature. Moreover, list by no means complete; only common as they compounds are described detail.
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sci-hub.st 参考文章(56)
Computational methods in band theory Plenum Press. ,(1971) , 10.1007/978-1-4684-1890-3
R. N. Euwema, D. J. Stukel, T. C. Collins, Self-Consistent Orthogonalized-PLane-Wave Calculations Springer US. pp. 82- 123 ,(1971) , 10.1007/978-1-4684-1890-3_8
C. Y. Fong, Marvin L. Cohen, Band Structure and Charge Density of2H−NbSe2 Physical Review Letters. ,vol. 32, pp. 720- 724 ,(1974) , 10.1103/PHYSREVLETT.32.720
D. E. Ellis, G. S. Painter, Discrete Variational Method for the Energy Band Problem Springer, Boston, MA. pp. 271- 275 ,(1971) , 10.1007/978-1-4684-1890-3_19
F. Bassani, G. Pastori Parravicini, Band structure and optical properties of graphite and of the layer compounds GaS and GaSe Il Nuovo Cimento B. ,vol. 50, pp. 95- 128 ,(1967) , 10.1007/BF02710685
Joel A. Appelbaum, D. R. Hamann, Self-Consistent Pseudopotential for Si Physical Review B. ,vol. 8, pp. 1777- 1780 ,(1973) , 10.1103/PHYSREVB.8.1777
B R Watts, On removing degenerate roots when spin-orbit coupling is included in the pseudopotential secular equation of electron band theory Journal of Physics C: Solid State Physics. ,vol. 6, pp. 3605- 3607 ,(1973) , 10.1088/0022-3719/6/24/019
M. Schlüter, James R. Chelikowsky, Steven G. Louie, Marvin L. Cohen, Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2×1) model structures Physical Review B. ,vol. 12, pp. 4200- 4214 ,(1975) , 10.1103/PHYSREVB.12.4200
W. Kohn, N. Rostoker, Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium Physical Review. ,vol. 94, pp. 1111- 1120 ,(1954) , 10.1103/PHYSREV.94.1111
Berni Alder, Sidney Fernbach, Manuel Rotenberg, J. Gillis, Methods in Computational Physics Physics Today. ,vol. 17, pp. 48- 50 ,(1964) , 10.1063/1.3051748