Calculation of Electron Velocity in Crystal ab Initio. Role of Relativistic Effects

Autor:	V. P. Shirokovskii, N. A. Shilkova
Rok vydání:	1988
Předmět:	Physics Computation Ab initio Vanadium chemistry.chemical_element Condensed Matter Physics Electron velocity Electronic Optical and Magnetic Materials Brillouin zone Crystal chemistry Quantum mechanics Quantum electrodynamics Perturbation theory Relativistic quantum chemistry
Zdroj:	physica status solidi (b). 149:571-577
ISSN:	1521-3951 0370-1972
DOI:	10.1002/pssb.2221490219
Popis:	The exact formula for the calculation of the electron velocity in the relativistic case is obtained by using the Hellman-Feynman theorem and the perturbation theory for the matrices. The computation is performed along the symmetrical lines of 1/48th of the b.c.c. Brillouin zone for six energy bands of vanadium. A comparison with the appropriate nonrelativistic velocity values is made. [Russian Text Ignored]
Databáze:	OpenAIRE
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