RT info:eu-repo/semantics/article
T1 Lattice properties of PbX (X=S,Se,Te): Experimental studies and ab initio calculations including spin-orbit effects
A1 Serrano Gutiérrez, Jorge
K1 PbX, spin-orbit, ab-initio, lattice properties
K1 2211 Física del Estado Sólido
AB During the past five years the low-temperature heat capacity of simple semiconductors and insulators has received renewed attention. Of particular interest is its dependence on isotopic masses and the effect of spin-orbit coupling in ab initio calculations. Here we concentrate on the lead chalcogenides PbS, PbSe, and PbTe. These materials, with rock salt structure, have different natural isotopes for both cations and anions; a fact that allows a systematic experimental and theoretical study of isotopic effects, e.g., on the specific heat. Also, the large spin-orbit splitting of the 6p electrons of Pb and the 5p of Te, using a computer code which includes spin-orbit interaction, allows an investigation of the effect of this interaction on the phonon-dispersion relations and the temperature dependence of the specific heat, and on the lattice parameter. It is shown that agreement between measurements and calculations significantly improves when spin-orbit interaction is included.
PB American Physical Society
YR 2008
FD 2008
LK https://uvadoc.uva.es/handle/10324/65293
UL https://uvadoc.uva.es/handle/10324/65293
LA eng
NO Phys. Rev. B 78, 224302 (2008)
DS UVaDOC
RD 18-dic-2024