The Role of Local DFT+<i>U</i> Minima in the First-Principles Modeling of the Metal–Insulator Transition in Vanadium Dioxide-Reference-Cited by-同舟云学术

The Role of Local DFT+U Minima in the First-Principles Modeling of the Metal–Insulator Transition in Vanadium Dioxide

Published:2022-05-31 Issue:22 Volume:126 Page:3604-3611
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Koch Daniel¹^ORCID,Manzhos Sergei²^ORCID,Chaker Mohamed¹^ORCID

Affiliation:

1. Centre Énergie Matériaux Télécommunications, Institut National de la Recherche Scientifique, 1650 boulevard Lionel Boulet, Varennes, QC J3X 1P7, Canada

2. School of Materials and Chemical Technology, Tokyo Institute of Technology, Ookayama 2-12-1, Meguro-ku, Tokyo 152-8552, Japan

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c03097

Reference79 articles.

1. Oxides Which Show a Metal-to-Insulator Transition at the Neel Temperature

2. Impact of tungsten doping on the dynamics of the photo-induced insulator-metal phase transition in VO2 thin film investigated by optical pump-terahertz probe spectroscopy

3. Metal–insulator transition temperature of boron-doped VO2 thin films grown by reactive pulsed laser deposition

4. Investigation of the metal-to-insulator transition of N-doped VO2(M1) thin films

5. Control of the metal–insulator transition in vanadium dioxide by modifying orbital occupancy

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