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Codebase release 0.0 for DFT2kp

URN to cite this document:
urn:nbn:de:bvb:355-epub-767216
DOI to cite this document:
10.5283/epub.76721
V. Cassiano, João Victor ; de Lelis Araújo, Augusto ; Faria Junior, Paulo E. ; J. Ferreira, Gerson




Abstract

The k p method, combined with group theory, is an efficient approach to obtain the low energy effective Hamiltonians of crystalline materials. Although the Hamiltonian coefficients are written as matrix elements of the generalized momentum operator π=p+pSOC (including spin-orbit coupling corrections), their numerical values must be determined from outside sources, such as experiments or ab initio ...

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