53 citations · 131 across the 5 of their papers we have counts for
5 papers
Construction and sampling of alloy cluster expansions -- A tutorial
Pernilla Ekborg-Tanner, Petter Rosander, Erik Fransson +1
Crystalline alloys and related mixed systems make up a large family of materials with high tunability which have been proposed as the solution to a large number of energy related m…
Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra
Nan Xu, Petter Rosander, Christian Schäfer +7
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the…
Understanding correlations in BaZrO3:Structure and dynamics on the nano-scale
Erik Fransson, Petter Rosander, Paul Erhart +1
Barium zirconate BaZrO3 is one of few perovskites that is claimed to retain an average cubic structure down to 0K at ambient pressure, while being energetically very close to a tet…
Anharmonicity of the antiferrodistortive soft mode in barium zirconate BaZrO
Petter Rosander, Erik Fransson, Cosme Milesi-Brault +6
Barium zirconate (BaZrO) is one of the very few perovskites that is claimed to retain an average cubic structure down to \SI{0}{\K}, while being energetically very close to an…
Limits of the phonon quasi-particle picture at the cubic-to-tetragonal phase transition in halide perovskites
Erik Fransson, Petter Rosander, Fredrik Eriksson +3
The soft modes associated with continuous-order phase transitions are associated with strong anharmonicity. This leads to the overdamped limit where the phonon quasi-particle pictu…