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20052023
most citedHow chemistry controls electron localization in 3d1 perovskites: A Wannier-function study

218 citations · 662 across the 16 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

6 papers · 1 filter

cond-mat.mtrl-sci2023★ 12 cited

Topotactically induced oxygen vacancy order in nickelate single crystals

Yu-Mi Wu, Pascal Puphal, Hangoo Lee +6

The strong structure-property coupling in rare-earth nickelates has spurred the realization of new quantum phases in rapid succession. Recently, topotactic transformations have pro…

cond-mat.mtrl-sci2021★ 10 cited

Na9Bi5Os3O24: A Unique Diamagnetic Oxide Featuring a Pronouncedly Jahn-Teller Compressed Octahedral Coordination of Osmium(VI)

Gohil S. Thakur, Hans Reuter, Alexey V. Ushakov +6

The Jahn-Teller theorem constitutes one of the most popular and stringent concepts, applicable to all fields of chemistry. In open shell transition elements chemistry and physics,…

cond-mat.mtrl-sci2018★ 25 cited

Magnetotransport in Sr3PbO antiperovskite with three-dimensional massive Dirac electrons

S. Suetsugu, K. Hayama, A. W. Rost +5

Novel topological phenomena are anticipated for three-dimensional (3D) Dirac electrons. The magnetotransport properties of cubic antiperovskite, theoretically pro…

cond-mat.mtrl-sci2016★ 103 cited

Magnetic properties of restacked 2D spin honeycomb RuCl nanosheets

Daniel Weber, Leslie M. Schoop, Viola Duppel +3

Spin honeycomb materials have gained substantial interest due to their exotic magnetism and possible application in quantum computing. However, in all current materia…

cond-mat.mtrl-sci2009★ 4 cited

Electronic structure of V2O3: Wannier orbitals from LDA-MTO calculations

T. Saha-Dasgupta, O. K. Andersen, J. Nuss +3

Using muffin-tin orbital (MTO) based NMTO-downfolding procedure within the framework of local density approximation, we construct the Wannier orbitals for the manifold of…

cond-mat.mtrl-sci2008★ 64 cited

Structural stability of Fe5Si3 and Ni2Si studied by high-pressure x-ray diffraction and ab initio total-energy calculations

D. Errandonea, D. Santamaria-Perez, A. Vegas +4

We performed high-pressure angle dispersive x-ray diffraction measurements on Fe5Si3 and Ni2Si up to 75 GPa. Both materials were synthesized in bulk quantities via a solid-state re…