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cond-mat.mtrl-sci2015★ 131 cited
From soft harmonic phonons to fast relaxational dynamics in CHNHPbBr
I. P. Swainson, C. Stock, S. F. Parker +3
The lead-halide perovskites, including CHNHPbBr, are components in cost effective, highly efficient photovoltaics, where the interactions of the molecular cations…
cond-mat.mtrl-sci2014★ 27 cited
Calculating electron momentum densities and Compton profiles using the linear tetrahedron method
D. Ernsting, D. Billington, T. D . Haynes +6
A method for computing electron momentum densities and Compton profiles from ab initio calculations is presented. Reciprocal space is divided into optimally-shaped tetrahedra for i…
cond-mat.mtrl-sci2008★ 11 cited
Spin-lozenge thermodynamics and magnetic excitations in NaRuO
J. T. Haraldsen, M. B. Stone, M. D. Lumsden +5
We report inelastic and elastic neutron scattering, magnetic susceptibility, and heat capacity measurements of polycrystalline sodium ruthenate (NaRuO). Previous work sugge…