papers
Publications (11)
cond-mat.mtrl-sci2016
Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics
Davide G. Sangiovanni, Olle Hellman, Björn Alling +1
cond-mat.mtrl-sci2014
Thermal Anharmonic Effects in PbTe from First Principles
A. H. Romero, E. K. U. Gross, M. J. Verstraete +1
cond-mat.mtrl-sci2014
Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab-initio molecular dynamics
Nina Shulumba, Björn Alling, Olle Hellman +4
cond-mat.mtrl-sci2016
Intrinsic localized mode and low thermal conductivity of PbSe
Nina Shulumba, Olle Hellman, Austin J. Minnich
cond-mat.mtrl-sci2019
Vibrational Effects in X-ray Absorption Spectra of 2D Layered Materials
Weine Olovsson, Teruyasu Mizoguchi, Martin Magnuson +4
cond-mat.mtrl-sci2013
Temperature dependent effective third order interatomic force constants from first principles
Olle Hellman, Igor A. Abrikosov
cond-mat.mtrl-sci2019
Order-disorder transition in the prototypical antiferroelectric PbZrO$_3$
Bin Xu, Olle Hellman, L. Bellaiche
cond-mat.mtrl-sci2015
Anharmonicity changes the solid solubility of an alloy at high temperatures
Nina Shulumba, Olle Hellman, Zamaan Raza +5
cond-mat.mtrl-sci2011
Lattice dynamics of anharmonic solids from first principles
Olle Hellman, I. A. Abrikosov, S. I. Simak
cond-mat.mtrl-sci2018
Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO$_{3}$ Perovskite from First Principles
Jin-Jian Zhou, Olle Hellman, Marco Bernardi
cond-mat.stat-mech2013
Temperature dependent effective potential method for accurate free energy calculations of solids
Olle Hellman, Peter Steneteg, Igor A. Abrikosov +1