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Relation between the topology of the elementary energy bands in the valence band of the Hg 3 TeCl 4 crystal and its anisotropy
Author(s) -
Sznajder M.
Publication year - 2009
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200844263
Subject(s) - brillouin zone , valence (chemistry) , anisotropy , valence band , topology (electrical circuits) , chemistry , electronic band structure , crystal (programming language) , unit (ring theory) , condensed matter physics , physics , molecular physics , band gap , optics , mathematics , combinatorics , mathematics education , organic chemistry , computer science , programming language
A mechanism of the Davydov‐like splitting formation in the Brillouin zone of the Hg 3 TeCl 4 crystal (Pbca, D 2h 15 ) with two double translationally nonequivalent layers in the unit cell was analyzed. The topology of the 8‐branch elementary energy bands creating the valence band of Hg 3 TeCl 4 was explained. Energetic distances between states of the elementary energy bands at the Brillouin zone edges were estimated by means of the localized function method. The topology of the elementary energy bands was related with the ratio of the interaction strength between the double layers in the unit cell and the interaction strength between single layers creating the double layer. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)