477 citations · 1.3k across the 32 of their papers we have counts for
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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…
Revealing the free energy landscape of halide perovskites: Metastability and transition characters in CsPbBr and MAPbI
Erik Fransson, J. Magnus Rahm, Julia Wiktor +1
Halide perovskites have emerged as a promising class of materials for photovoltaic applications. A challenge in these applications is how to prevent the crystal structure from degr…
Quantifying Dynamic Tilting in Halide Perovskites: Chemical Trends and Local Correlations
Julia Wiktor, Erik Fransson, Dominik Kubicki +1
Halide perovskites have emerged as one of the most interesting materials for optoelectronic applications due to their favorable properties, such as defect-tolerance and long charge…
Tuning the lattice thermal conductivity in van-der-Waals structures through rotational (dis)ordering
Fredrik Eriksson, Erik Fransson, Christopher Linderälv +2
It has recently been demonstrated that MoS2 with irregular interlayer rotations can achieve an extreme anisotropy in the lattice thermal conductivity (LTC), which is for example of…
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…
Phase transitions in inorganic halide perovskites from machine learning potentials
Erik Fransson, Julia Wiktor, Paul Erhart
The atomic scale dynamics of halide perovskites have a direct impact not only on their thermal stability but their optoelectronic properties. Progress in machine learned potentials…