Insights into first-principles characterization of the monoclinic VO<sub>2</sub>(B) polymorph <i>via</i> DFT + U calculation: electronic, magnetic and optical properties-Reference-Cited by-同舟云学术

Insights into first-principles characterization of the monoclinic VO₂(B) polymorph via DFT + U calculation: electronic, magnetic and optical properties

Published:2022 Issue:17 Volume:4 Page:3634-3646
ISSN:2516-0230
Container-title:Nanoscale Advances
language:en
Short-container-title:Nanoscale 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, 60131 Ancona, Italy

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

Abstract

We have studied the structural, electronic, magnetic, and optical properties of the VO2(B) polymorph using first-principles calculations based on density functional theory (DFT).

Funder

H2020 Environment

Publisher

Royal Society of Chemistry (RSC)

Subject

General Engineering,General Materials Science,General Chemistry,Atomic and Molecular Physics, and Optics,Bioengineering

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NA/D2NA00247G

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