Oswaldo Di'eguez

activity

20082018

most citedFirst-principles predictions of low-energy phases of multiferroic BiFeO3

250 citations · 406 across the 7 of their papers we have counts for

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Showing 2009Show all

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cond-mat.mtrl-sci2009★ 27 cited

A first-principles characterization of the structure and electronic structure of $α$ -S and Rh-S chalcogenides

Oswaldo Diéguez, Nicola Marzari

We have used first-principles calculations to study the structural, electronic, and thermodynamic properties of the three known forms of Rh-S chalcogenides: Rh $_{2}$ S $_{3}$ , Rh $_{3}$ S$_4…

A first-principles characterization of the structure and electronic structure of α-S and Rh-S chalcogenides

A first-principles characterization of the structure and electronic structure of $α$ -S and Rh-S chalcogenides