722 citations · 3.1k across the 23 of their papers we have counts for
Showing 2013Show all
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cond-mat.mtrl-sci2013★ 161 cited
Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics
C. W. Li, O. Hellman, J. Ma +8
The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The…
cond-mat.mtrl-sci2013★ 462 cited
Temperature dependent effective third order interatomic force constants from first principles
Olle Hellman, Igor A. Abrikosov
The temperature dependent effective potential (TDEP) method is generalized beyond pair interactions. The second and third order force constants are determined consistently from ab…
cond-mat.stat-mech2013★ 652 cited
Temperature dependent effective potential method for accurate free energy calculations of solids
Olle Hellman, Peter Steneteg, Igor A. Abrikosov +1
We have developed a thorough and accurate method of determining anharmonic free energies, the temperature dependent effective potential technique (TDEP). It is based on \emph{ab in…