Publication Date:
2011-06-21
Description:
Author(s): David Parker, Mao-Hua Du, and David J. Singh We study the effects of doping Mo 3 Sb 7 with transition metals (Ni, Fe, Co, Ru) via first-principles calculations, including electronic structure, lattice dynamics, and Boltzmann transport. We find heavy-mass bands and large, rapidly varying density of states, generally favorable for high thermopower,... [Phys. Rev. B 83, 245111] Published Mon Jun 20, 2011
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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