Elastic constants and phonon frequencies of Si calculated by a fast full-potential linear-muffin-tin-orbital method
作者： M. Methfessel
关键词: Tin 、 Phonon 、 Materials science 、 Atomic physics
摘要: … In this paper a new and very efficient approach for evaluating … (which are easy to evaluate analytically} by numerical means. An … , namely that of evaluating the effect of the nonspherical …
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sci-hub.se 参考文章(11)
O. Krogh Andersen, Linear methods in band theory Physical Review B. ,vol. 12, pp. 3060- 3083 ,(1975) , 10.1103/PHYSREVB.12.3060
O. Gunnarsson, J. Harris, R. O. Jones, Muffin-tin orbitals and the total energy of atomic clusters Physical Review B. ,vol. 15, pp. 3027- 3038 ,(1977) , 10.1103/PHYSREVB.15.3027
J. Harris, G. S. Painter, Localized-muffin-tin-orbital basis for atomic-cluster calculations within the local-density formalism Physical Review B. ,vol. 22, pp. 2614- 2625 ,(1980) , 10.1103/PHYSREVB.22.2614
R. Car, M. Parrinello, Unified Approach for Molecular Dynamics and Density-Functional Theory Physical Review Letters. ,vol. 55, pp. 2471- 2474 ,(1985) , 10.1103/PHYSREVLETT.55.2471
G. S. Painter, D. E. Ellis, Electronic Band Structure and Optical Properties of Graphite from a Variational Approach Physical Review B. ,vol. 1, pp. 4747- 4752 ,(1970) , 10.1103/PHYSREVB.1.4747
Michael Springborg, Ole Krogh Andersen, Method for calculating the electronic structures of large molecules; helical polymers The Journal of Chemical Physics. ,vol. 87, pp. 7125- 7145 ,(1987) , 10.1063/1.453357
D. Glötzel, B. Segall, O.K. Andersen, Self-consistent electronic structure of Si, Ge and diamond by the LMTO-ASA method Solid State Communications. ,vol. 36, pp. 403- 406 ,(1980) , 10.1016/0038-1098(80)90920-5
O. K. Andersen, O. Jepsen, Explicit, First-Principles Tight-Binding Theory Physical Review Letters. ,vol. 53, pp. 2571- 2574 ,(1984) , 10.1103/PHYSREVLETT.53.2571
L Hedin, B I Lundqvist, Explicit local exchange-correlation potentials Journal of Physics C: Solid State Physics. ,vol. 4, pp. 2064- 2083 ,(1971) , 10.1088/0022-3719/4/14/022
M. T. Yin, Marvin L. Cohen, Theory of lattice-dynamical properties of solids: Application to Si and Ge Physical Review B. ,vol. 26, pp. 3259- 3272 ,(1982) , 10.1103/PHYSREVB.26.3259