Journal of Physical Studies 13(1), Article 1704 [4 pages] (2009)
DOI: https://doi.org/10.30970/jps.13.1704

FUNDAMENTAL CHARACTERISTICS OF A NEW Hg₃TeCl₄ CRYSTAL OBTAINED BY MEANS OF THE ELEMENTARY ENERGY BANDS CONCEPT BASED ON AB INITIO BAND STRUCTURE CALCULATIONS

D. M. Bercha^{1}, M. Sznajder^{1}, L. Yu. Kharkhalis^{2}
^{1}Institute of Physics, University of Rzeszów,
Rejtana 16a, 35--310 Rzeszów, Poland
e-mail: sznajder@univ.rzeszow.pl
^{2}Institute of Physics and Chemistry of Solid State,
Uzhgorod National University, Uzhgorod, Ukraine

Ab initio band structure calculations of the orthorhombic $\rm Hg_3TeCl_4$ crystal of the symmetry $D_{2h}^{15}$ were performed and the topology of its valence band was analyzed in the framework of the elementary energy bands concept. The effective masses of charge carriers were estimated. It was demonstrated that the anisotropy of the effective mass tensor components does not coincide with the mechanical one of the $\rm Hg_3TeCl_4$ crystal. A possible reason of this fact was proposed.

PACS number(s): 71.20.-b, 71.15.Mb, 71.20Nr, 61.50Ah.

FUNDAMENTAL CHARACTERISTICS OF A NEW Hg3TeCl4 CRYSTAL OBTAINED BY MEANS OF THE ELEMENTARY ENERGY BANDS CONCEPT BASED ON AB INITIO BAND STRUCTURE CALCULATIONS

FUNDAMENTAL CHARACTERISTICS OF A NEW Hg₃TeCl₄ CRYSTAL OBTAINED BY MEANS OF THE ELEMENTARY ENERGY BANDS CONCEPT BASED ON AB INITIO BAND STRUCTURE CALCULATIONS