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Titolo:
Analytic spin-orbit coupling matrix element formulae in FLAPW calculations
Autore:
Youn, SJ; Mannstadt, W; Freeman, AJ;
Indirizzi:
Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA NorthwesternUniv Evanston IL USA 60208 & Astron, Evanston, IL 60208 USA
Titolo Testata:
JOURNAL OF COMPUTATIONAL PHYSICS
fascicolo: 1, volume: 172, anno: 2001,
pagine: 387 - 391
SICI:
0021-9991(20010901)172:1<387:ASCMEF>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
PLANE-WAVE METHOD; BULK SOLIDS; SURFACES;
Keywords:
electronic structure; FLAPW; spin-orbit interaction;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
7
Recensione:
Indirizzi per estratti:
Indirizzo: Youn, SJ Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA Northwestern Univ Evanston IL USA 60208 , Evanston, IL 60208 USA
Citazione:
S.J. Youn et al., "Analytic spin-orbit coupling matrix element formulae in FLAPW calculations", J COMPUT PH, 172(1), 2001, pp. 387-391

Abstract

The full-potential, linearized augmented, plane wave (FLAPW) method is used widely for accurate electronic structure calculations. For the electronicstructure of solids with heavy elements, it is necessary to include spin-orbit coupling interactions. We present simple analytic formulae for calculating FLAPW spin-orbit matrix elements. These will serve to simplify the calculations and save computational time. (C) 2001 Academic Press.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/12/20 alle ore 01:00:50