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20052023
most citedFirst principles studies of SnTiO3 perovskite as a potential ferroelectric material

84 citations · 463 across the 42 of their papers we have counts for

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Showing 2013Show all

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cond-mat.mtrl-sci2013★ 12 cited

Molecular Dynamics of Spin Crossover: the (P,T) phase diagram of [Fe(PM-BIA)2(NCS)2]

A. Marbeuf, P. Négrier, S. F. Matar +3

The spin crossover properties and the domains of existence of the different phases for the [Fe(PM-BIA)2(NCS)2] complex are obtained from combining DFT and classical molecular dynam…