PBEsol/HSE functional: a promising candidate for vanadium dioxide (B) characterization-Reference-Cited by-同舟云学术

PBEsol/HSE functional: a promising candidate for vanadium dioxide (B) characterization

Published:2022 Issue:48 Volume:12 Page:31255-31263
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Mohebbi Elaheh¹,Pavoni Eleonora¹^ORCID,Mencarelli Davide²,Stipa Pierluigi¹,Pierantoni Luca²,Laudadio Emiliano¹^ORCID

Affiliation:

1. Department of Materials, Environmental Sciences and Urban Planning, Marche Polytechnic University, Ancona 60131, Italy

2. Information Engineering Department, Marche Polytechnic University, Ancona 60131, Italy

Abstract

A VO2(B) polymorph has been thoroughly investigated by means of density functional theory (DFT) calculations to evaluate the structure, Raman spectrum, cohesive energy, phonon band structure, an delectronic and optical properties.

Funder

H2020 European Institute of Innovation and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA04322J

Reference51 articles.

1. Metal-insulator transitions

2. Metal-insulator transition in vanadium dioxide

3. Correlation between metal-insulator transition characteristics and electronic structure changes in vanadium oxide thin films

4. Investigation of Statistical Metal-Insulator Transition Properties of Electronic Domains in Spatially Confined VO2 Nanostructure

5. Study of the phase evolution, metal-insulator transition, and optical properties of vanadium oxide thin films

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