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physics.comp-ph2017★ 35 cited
Ab-initio design of new Heusler materials for thermoelectric applications
Mohd Zeeshan, Harish K. Singh, Jeroen van den Brink +1
In search of new prospects for thermoelectric materials, using ab-initio calculations and semi-classical Boltzmann theory, we have systematically investigated the electronic struct…
physics.comp-ph2007★ 1 cited
Variation of the bonding interactions and magnetism in GdAuX (X = Mg, Cd, and In)
Hem Chandra Kandpal, Frederick Casper, Gerhard H. Fecher +3
Results of first-principles electronic structure calculations for the isotypic compounds GdAuX (ZrNiAl type, X = Mg, Cd, and In) are presented. We report on a systematic examinatio…