The pseudopotential method is used to calculate the spin-orbit and crystal field splittings of tetragonal I13V2 compounds at the F point of the Brillouin Zone. The computed splittings are compared to experimental data of other authors. The resulting structure of the valence bands i n these compounds at the I' point is presentcd.
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The pseudopotential method is used to calculate a band structure model of Cd3P2 for real tetragonal DX symmetry. The calculations are performed without spin-orbit interaction. The resulting band model is discussed and compared to the experimental data of other authors. MeTon IIceBnOIIOTeH4llaJIa IIpHMeHneTCH AJIH BbIZiHCJIeHllH MOAeJIH 3 O H H O f i CTpYhTYpbI Cd,Pz nJIH peaJlbHOa TeTparOHaJlbHOa CllMMeTpllll DX. BbIsllcneHHH 6bIJlll FIpllBeZeHbl 6e3 CIIllH-Op6llTaJIbHOI'O B3aPiMOiIeaCTBIXH. nOJIyseHHyKl 30HHYH) CTPJ%TYpY CpaBHH-BaeTCH C 3KCIIePHMeHTaJIbHbIMll ZaHHbIMIX UpYrllX aBTOpOB.
Cd3As2 is the most interesting compound of the 11-V family. Such properties as small effective mass, high concentration of electrons and their large mobility a r e of great interest, see for example /l/. At room temperature mobilities of 10000 cm /Vs have been reported /1/ with 2x1Ol8 electrons/cm . In this paper we report the first pseudopotential band structure calculations of Cd3As2 for the real tetragonal symmetry. 1) Wybrzeze Wyspiafiskiego 2 7,
The fundamental symmetry properties of the D 4h15 space group, necessary in determining the band structure of Cd3P2 are studied in detail. The SCPW for all points and axes of high symmetry, and the compatibility relations for this group are constructed. The selection rules for double‐valued representations are calculated. Finally, the consequences of including spin to the calculated band structure of Cd2P2 are discussed.
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