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List of works by Olle Hellman

Ab initio calculation of the thermal conductivity of indium antimonide

Charge Redistribution Mechanisms of Ceria Reduction

scientific article published in Physical Review Letters

Crystal Chemistry and Phonon Heat Capacity in Quaternary Honeycomb Delafossites: Cu[LiSn]O and Cu[NaSn]O

scientific article published on 01 October 2018

Dynamic Stabilization of Cubic AuZn

Dynamic and structural stability of cubic vanadium nitride

scholarly article in Physical Review B, vol. 91 no. 5, February 2015

Dynamical stabilization in delafossite nitrides for solar energy conversion

Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibriumab initiomolecular dynamics

scholarly article in Physical Review B, vol. 93 no. 9, March 2016

Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO_{3} Perovskite from First Principles

scientific article published on 01 November 2018

Intrinsic anharmonic localization in thermoelectric PbSe

scientific article published on 26 April 2019

Intrinsic localized mode and low thermal conductivity of PbSe ⬇️

scholarly article in Physical Review B, vol. 95 no. 1, January 2017

Ionic conductivity in Gd-dopedCeO2:Ab initiocolor-diffusion nonequilibrium molecular dynamics study

scholarly article in Physical Review B, vol. 93 no. 2, January 2016

Lattice Thermal Conductivity of Polyethylene Molecular Crystals from First-Principles Including Nuclear Quantum Effects

scientific article published on 31 October 2017

Lattice Vibrations Change the Solid Solubility of an Alloy at High Temperatures ⬇️

scientific article published on 8 November 2016

Lattice dynamics of anharmonic solids from first principles

article

Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts

scientific article published in Nature Communications

Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon.

scientific article published on 13 February 2018

Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics

scientific article published in Physical Review Letters

Phonon quarticity induced by changes in phonon-tracked hybridization during lattice expansion and its stabilization of rutileTiO2 ⬇️

scholarly article in Physical Review B, vol. 92 no. 5, August 2015

Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth

scholarly article in Physical Review B, vol. 96 no. 19, November 2017

Phonon thermal transport inBi2Te3from first principles

scholarly article in Physical Review B, vol. 90 no. 13, October 2014

Phonons and elasticity of cementite through the Curie temperature

scholarly article in Physical Review B, vol. 95 no. 2, January 2017

Quenching of bcc-Fe from high to room temperature at high-pressure conditions: a molecular dynamics simulation

Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

article

Temperature dependence of TiN elastic constants fromab initiomolecular dynamics simulations

scholarly article in Physical Review B, vol. 87 no. 9, March 2013

Temperature dependent effective potential method for accurate free energy calculations of solids

scholarly article in Physical Review B, vol. 87 no. 10, March 2013

Temperature-dependent effective third-order interatomic force constants from first principles

scholarly article in Physical Review B, vol. 88 no. 14, October 2013

Temperature-dependent elastic properties of Ti1−xAlxN alloys

Theoretical description of pressure-induced phase transitions: a case study of Ti–V alloys

Thermal conductivity in PbTe from first principles ⬇️

article by A. H. Romero et al published 29 June 2015 in Physical Review B

Thermally Driven Electronic Topological Transition in FeTi

scientific article published in Physical Review Letters

Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles

scientific article published on 30 December 2016

Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN fromab initiomolecular dynamics ⬇️

scholarly article in Physical Review B, vol. 89 no. 17, May 2014

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