Physical properties of thermoelectric zinc antimonide using first-principles calculations
نویسندگان
چکیده
منابع مشابه
Physical properties of thallium-tellurium based thermoelectric compounds using first-principles simulations.
We present a study of the thermodynamic and physical properties of Tl(5)Te(3), BiTl(9)Te(6), and SbTl(9)Te(6) compounds by means of density functional theory based calculations. The optimized lattice constants of the compounds are in good agreement with the experimental data. The electronic density of states and band structures are calculated to understand the bonding mechanism in the three com...
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1 Aerospace and Mechanical Engineering Department, University of Notre Dame, Notre Dame, IN, United States, 2 Departamento de Ingeniería Mecánica y Metalúrgica, Pontificia Universidad Católica de Chile, Santiago, Chile, 3 Facultad de Física, Instituto de Física, Pontificia Universidad Católica de Chile, Santiago, Chile, 4 Centro de Investigación en Nanotecnología y Materiales Avanzados (CIEN-UC...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.85.224105