We performed density functional calculations for ultra-thin bismuth surface alloys: surface alloys of bismuth and face-centered cubic metals Bi/M(111)-(3×3)R30° (M=Cu, Ag, Au, Ni, Co, and Fe). Our calculated Rashba parameters for the Bi/Ag are consistent with the previous experimental and theoretical results. We predicted a trend in the Rashba coefficients αR of bands around the Fermi energy for noble...
We have performed first-principles band structure calculations for CeRhAs and related compounds. In order to discuss the thermoelectric properties, we calculate temperature dependence of Seebeck coefficients from band structure within semi-classical Boltzmann transport theory. We discuss in detail density of states near the Fermi energy and thermoelectric properties.
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