139 citations · 423 across the 6 of their papers we have counts for
3 papers · 2 filters
A nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon
D. S. Kim, O. Hellman, J. Herriman +7
Despite the widespread use of silicon in modern technology, its peculiar thermal expansion is not well-understood. Adapting harmonic phonons to the specific volume at temperature,…
Intrinsic localized mode and low thermal conductivity of PbSe
Nina Shulumba, Olle Hellman, Austin J. Minnich
Lead chalcogenides such as PbS, PbSe, and PbTe are of interest for their exceptional thermoelectric properties and strongly anharmonic lattice dynamics. Although PbTe has received…
Finite temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations
Elham Mozafari, Nina Shulumba, Peter Steneteg +2
We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disor…