most citedFirst-Principles Theory of Competing Order Types, Phase Separation, and Phonon Scattering in Thermoelectric Pb-Sb-Ag-Te Alloys

99 citations · 175 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2008★ 99 cited

First-Principles Theory of Competing Order Types, Phase Separation, and Phonon Scattering in Thermoelectric Pb-Sb-Ag-Te Alloys

S. V. Barabash, V. Ozolins, C. Wolverton

Using a first-principles cluster expansion, we shed light on the solid-state phase diagram and structure of the recently discovered high-performance thermoelectrics, Pb-Ag-Sb-Te al…

cond-mat.mtrl-sci2006★ 76 cited

Reaction energetics and crystal structure of Li4BN3H10 from first principles

Donald J. Siegel, C. Wolverton, V. Ozolins

Using density functional theory we examine the crystal structure and the finite-temperature thermodynamics of formation and dehydrogenation for the new quaternary hydride Li4BN3H10…