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Electronic Properties of Cu‐Pd Ordered Alloys
Author(s) -
Sharma Ramesh,
Dwivedi Shalini,
Sharma Yamini
Publication year - 2015
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.201400188
Subject(s) - electrical resistivity and conductivity , materials science , density functional theory , electronic structure , alloy , seebeck coefficient , condensed matter physics , electronic band structure , thermoelectric effect , density of states , thermodynamics , metallurgy , chemistry , computational chemistry , composite material , physics , thermal conductivity , quantum mechanics
Summary The Cu‐Pd alloy, for Pd concentration greater than 50 at% has a distorted FCC structure, while for Pd less than 18 at%, has a L1 2 type structure. The electronic structure of Cu 3 Pd and CuPd 3 , which are the ordered alloys of the Cu‐Pd system are investigated by the FP‐LAPW method based on the density functional theory. The temperature dependence of the electrical resistivity and Seebeck coefficients has been interpreted in terms of band structures and density of states.