Electronic structure of the chainlike compound TlSe


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Ellialtioglu S. , Mete E., Shaltaf R., Allakhverdiev K., Gashimzade F., Nizametdinova M., ...Daha Fazla

PHYSICAL REVIEW B, cilt.70, sa.19, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

Özet

An ab initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe, which is of chainlike crystal geometry. The energy bands and effective masses along high symmetry directions, the density of states, and valence charge density distributions cut through various planes are presented. The results have been discussed in terms of previously existing experimental and theoretical data, and comparisons with similar compounds have been made.