58 citations · 77 across the 2 of their papers we have counts for
5 papers
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…
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…
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…
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…
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…