activity
20112022
most citedLattice dynamics of anharmonic solids from first principles

722 citations · 3.1k across the 23 of their papers we have counts for

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Showing 2019Show all

6 papers · 1 filter

cond-mat.mtrl-sci2019★ 186 cited

Anharmonicity and Ultra-Low Thermal Conductivity in Lead-Free Halide Double Perovskites

Johan Klarbring, Olle Hellman, Igor A. Abrikosov +1

The lead-free halide double perovskite class of materials offers a promising venue for resolving issues related to toxicity of Pb and long-term stability of the lead-containing hal…

cond-mat.mes-hall2019★ 11 cited

Thermal transport in nanoporous holey silicon membranes investigated with optically-induced transient thermal gratings

Ryan A. Duncan, Giuseppe Romano, Marianna Sledzinska +5

In this study, we use the transient thermal grating optical technique \textemdash a non-contact, laser-based thermal metrology technique with intrinsically high accuracy \textemdas…

cond-mat.mtrl-sci2019

Impact of anharmonicity on sound wave velocities at extreme conditions

Olle Hellman, S. I. Simak

Theoretical calculations of sound-wave velocities of materials at extreme conditions are of great importance to various fields, in particular geophysics. For example, the seismic d…

cond-mat.mtrl-sci2019★ 29 cited

Thermoelectric transport trends in group 4 half-Heusler alloys

Kristian Berland, Nina Shulumba, Olle Hellman +2

The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional the…

cond-mat.mtrl-sci2019★ 19 cited

Vibrational Effects in X-ray Absorption Spectra of 2D Layered Materials

Weine Olovsson, Teruyasu Mizoguchi, Martin Magnuson +4

With the examples of the C -edge in graphite and the B -edge in hexagonal BN, we demonstrate the impact of vibrational coupling and lattice distortions on the X-ray absorptio…

cond-mat.mtrl-sci2019★ 58 cited

Order-disorder transition in the prototypical antiferroelectric PbZrO

Bin Xu, Olle Hellman, L. Bellaiche

The prototypical antiferroelectric PbZrO has several unsettled questions, such as the nature of the antiferroelectric transition, possible intermediate phase and the microscopi…