Cargando…

Transition metal dichalcogenide magnetic atomic chains

Reducing the dimensions of a material to the atomic scale endows them with novel properties that are significantly different from their bulk counterparts. A family of stoichiometric transition metal dichalcogenide (TMD) MX(2) (M = Ti to Mn, and X = S to Te) atomic chains is proposed. The results rev...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Kai, Wu, Xiaojun, Yang, Jinlong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9642364/
https://www.ncbi.nlm.nih.gov/pubmed/36381508
http://dx.doi.org/10.1039/d2na00543c
_version_ 1784826290173378560
author Zhang, Kai
Wu, Xiaojun
Yang, Jinlong
author_facet Zhang, Kai
Wu, Xiaojun
Yang, Jinlong
author_sort Zhang, Kai
collection PubMed
description Reducing the dimensions of a material to the atomic scale endows them with novel properties that are significantly different from their bulk counterparts. A family of stoichiometric transition metal dichalcogenide (TMD) MX(2) (M = Ti to Mn, and X = S to Te) atomic chains is proposed. The results reveal that the MX(2) atomic chains, the smallest possible nanostructure of a TMD, are lattice-dynamically stable, as confirmed from their phonon spectra and ab initio molecular dynamics simulations. In contrast to their bulk and two-dimensional (2D) counterparts, the TiX(2) atomic chains are nonmagnetic semiconductors, while the VX(2), CrX(2), and MnX(2) chains are unipolar magnetic, bipolar magnetic, and antiferromagnetic semiconductors, respectively. In addition, the VX(2), CrX(2), and MnX(2) chains can be converted via carrier doping from magnetic semiconductors to half metals with reversible spin-polarization orientation at the Fermi level. Of these chains, the MnX(2) chains exhibit either ferromagnetic or antiferromagnetic half metallicity depending on the injected carrier type and concentration. The diverse and tunable electronic and magnetic properties in the MX(2) chains originate, based on crystal field theory, from the occupation of the metal d orbitals and the exchange interaction between the tetrahedrally coordinated metal atoms in the atomic chain. The calculated interaction between the carbon nanotubes and the MX(2) chains implies that armchair (7,7) or armchair (8,8) carbon nanotubes are appropriate sheaths for growing MX(2) atomic single-chains in a confined channel. This study reveals the diverse magnetic properties of MX(2) atomic single-chains and provides a promising building block for nanoscale electronic and spintronic devices.
format Online
Article
Text
id pubmed-9642364
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher RSC
record_format MEDLINE/PubMed
spelling pubmed-96423642022-11-14 Transition metal dichalcogenide magnetic atomic chains Zhang, Kai Wu, Xiaojun Yang, Jinlong Nanoscale Adv Chemistry Reducing the dimensions of a material to the atomic scale endows them with novel properties that are significantly different from their bulk counterparts. A family of stoichiometric transition metal dichalcogenide (TMD) MX(2) (M = Ti to Mn, and X = S to Te) atomic chains is proposed. The results reveal that the MX(2) atomic chains, the smallest possible nanostructure of a TMD, are lattice-dynamically stable, as confirmed from their phonon spectra and ab initio molecular dynamics simulations. In contrast to their bulk and two-dimensional (2D) counterparts, the TiX(2) atomic chains are nonmagnetic semiconductors, while the VX(2), CrX(2), and MnX(2) chains are unipolar magnetic, bipolar magnetic, and antiferromagnetic semiconductors, respectively. In addition, the VX(2), CrX(2), and MnX(2) chains can be converted via carrier doping from magnetic semiconductors to half metals with reversible spin-polarization orientation at the Fermi level. Of these chains, the MnX(2) chains exhibit either ferromagnetic or antiferromagnetic half metallicity depending on the injected carrier type and concentration. The diverse and tunable electronic and magnetic properties in the MX(2) chains originate, based on crystal field theory, from the occupation of the metal d orbitals and the exchange interaction between the tetrahedrally coordinated metal atoms in the atomic chain. The calculated interaction between the carbon nanotubes and the MX(2) chains implies that armchair (7,7) or armchair (8,8) carbon nanotubes are appropriate sheaths for growing MX(2) atomic single-chains in a confined channel. This study reveals the diverse magnetic properties of MX(2) atomic single-chains and provides a promising building block for nanoscale electronic and spintronic devices. RSC 2022-10-20 /pmc/articles/PMC9642364/ /pubmed/36381508 http://dx.doi.org/10.1039/d2na00543c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Zhang, Kai
Wu, Xiaojun
Yang, Jinlong
Transition metal dichalcogenide magnetic atomic chains
title Transition metal dichalcogenide magnetic atomic chains
title_full Transition metal dichalcogenide magnetic atomic chains
title_fullStr Transition metal dichalcogenide magnetic atomic chains
title_full_unstemmed Transition metal dichalcogenide magnetic atomic chains
title_short Transition metal dichalcogenide magnetic atomic chains
title_sort transition metal dichalcogenide magnetic atomic chains
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9642364/
https://www.ncbi.nlm.nih.gov/pubmed/36381508
http://dx.doi.org/10.1039/d2na00543c
work_keys_str_mv AT zhangkai transitionmetaldichalcogenidemagneticatomicchains
AT wuxiaojun transitionmetaldichalcogenidemagneticatomicchains
AT yangjinlong transitionmetaldichalcogenidemagneticatomicchains