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Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates

The appearance of intrinsic ferromagnetism in 2D materials opens the possibility of investigating the interplay between magnetism and topology. The magnetic anisotropy energy (MAE) describing the easy axis for magnetization in a particular direction is an important yardstick for nanoscale applicatio...

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Autores principales: Hussain, Ghulam, Fakhredine, Amar, Islam, Rajibul, Sattigeri, Raghottam M., Autieri, Carmine, Cuono, Giuseppe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9965066/
https://www.ncbi.nlm.nih.gov/pubmed/36837286
http://dx.doi.org/10.3390/ma16041649
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author Hussain, Ghulam
Fakhredine, Amar
Islam, Rajibul
Sattigeri, Raghottam M.
Autieri, Carmine
Cuono, Giuseppe
author_facet Hussain, Ghulam
Fakhredine, Amar
Islam, Rajibul
Sattigeri, Raghottam M.
Autieri, Carmine
Cuono, Giuseppe
author_sort Hussain, Ghulam
collection PubMed
description The appearance of intrinsic ferromagnetism in 2D materials opens the possibility of investigating the interplay between magnetism and topology. The magnetic anisotropy energy (MAE) describing the easy axis for magnetization in a particular direction is an important yardstick for nanoscale applications. Here, the first-principles approach is used to investigate the electronic band structures, the strain dependence of MAE in pristine VSi(2)Z(4) (Z = P, As) and its Janus phase VSiGeP(2)As(2) and the evolution of the topology as a function of the Coulomb interaction. In the Janus phase the compound presents a breaking of the mirror symmetry, which is equivalent to having an electric field, and the system can be piezoelectric. It is revealed that all three monolayers exhibit ferromagnetic ground state ordering, which is robust even under biaxial strains. A large value of coupling J is obtained, and this, together with the magnetocrystalline anisotropy, will produce a large critical temperature. We found an out-of-plane (in-plane) magnetization for VSi(2)P(4) (VSi(2)As(4)), and an in-plane magnetization for VSiGeP(2)As(2). Furthermore, we observed a correlation-driven topological transition in the Janus VSiGeP(2)As(2). Our analysis of these emerging pristine and Janus-phased magnetic semiconductors opens prospects for studying the interplay between magnetism and topology in two-dimensional materials.
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spelling pubmed-99650662023-02-26 Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates Hussain, Ghulam Fakhredine, Amar Islam, Rajibul Sattigeri, Raghottam M. Autieri, Carmine Cuono, Giuseppe Materials (Basel) Article The appearance of intrinsic ferromagnetism in 2D materials opens the possibility of investigating the interplay between magnetism and topology. The magnetic anisotropy energy (MAE) describing the easy axis for magnetization in a particular direction is an important yardstick for nanoscale applications. Here, the first-principles approach is used to investigate the electronic band structures, the strain dependence of MAE in pristine VSi(2)Z(4) (Z = P, As) and its Janus phase VSiGeP(2)As(2) and the evolution of the topology as a function of the Coulomb interaction. In the Janus phase the compound presents a breaking of the mirror symmetry, which is equivalent to having an electric field, and the system can be piezoelectric. It is revealed that all three monolayers exhibit ferromagnetic ground state ordering, which is robust even under biaxial strains. A large value of coupling J is obtained, and this, together with the magnetocrystalline anisotropy, will produce a large critical temperature. We found an out-of-plane (in-plane) magnetization for VSi(2)P(4) (VSi(2)As(4)), and an in-plane magnetization for VSiGeP(2)As(2). Furthermore, we observed a correlation-driven topological transition in the Janus VSiGeP(2)As(2). Our analysis of these emerging pristine and Janus-phased magnetic semiconductors opens prospects for studying the interplay between magnetism and topology in two-dimensional materials. MDPI 2023-02-16 /pmc/articles/PMC9965066/ /pubmed/36837286 http://dx.doi.org/10.3390/ma16041649 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Hussain, Ghulam
Fakhredine, Amar
Islam, Rajibul
Sattigeri, Raghottam M.
Autieri, Carmine
Cuono, Giuseppe
Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates
title Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates
title_full Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates
title_fullStr Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates
title_full_unstemmed Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates
title_short Correlation-Driven Topological Transition in Janus Two-Dimensional Vanadates
title_sort correlation-driven topological transition in janus two-dimensional vanadates
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9965066/
https://www.ncbi.nlm.nih.gov/pubmed/36837286
http://dx.doi.org/10.3390/ma16041649
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