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Electronic structure of chromium trihalides beyond density functional theory

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Swagata Acharya,1, ∗ Dimitar Pashov,2 Brian Cunningham,3 Alexander N. Rudenko,1 Malte Rösner,1 Myrta Grüning,4 Mark van Schilfgaarde,2, 5 and Mikhail I. Katsnelson1 Institute for Molecules and Materials, Radboud University, NL-6525… Click to show full abstract

Swagata Acharya,1, ∗ Dimitar Pashov,2 Brian Cunningham,3 Alexander N. Rudenko,1 Malte Rösner,1 Myrta Grüning,4 Mark van Schilfgaarde,2, 5 and Mikhail I. Katsnelson1 Institute for Molecules and Materials, Radboud University, NL-6525 AJ Nijmegen, The Netherlands King’s College London, Theory and Simulation of Condensed Matter, The Strand, WC2R 2LS London, UK Centre for Theoretical Atomic, Molecular and Optical Physics, Queen’s University Belfast, Belfast BT71NN, Northern Ireland, United Kingdom Atomistic Simulation Centre, Queen’s University Belfast, Belfast BT71NN, Northern Ireland, United Kingdom National Renewable Energy Laboratory, Golden, CO 80401, USA

Keywords: belfast; chromium trihalides; structure chromium; electronic structure; beyond density; trihalides beyond

Journal Title: Physical Review B
Year Published: 2021

Link to full text (if available)


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