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NiS - An unusual self-doped, nearly compensated antiferromagnetic metal
NiS, exhibiting a text-book example of a first-order transition with many unusual properties at low temperatures, has been variously described in terms of conflicting descriptions of its ground state during the past several decades. We calculate these physical properties within first-principle appro...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3801131/ https://www.ncbi.nlm.nih.gov/pubmed/24141233 http://dx.doi.org/10.1038/srep02995 |
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author | Panda, S. K. Dasgupta, I. Şaşıoğlu, E. Blügel, S. Sarma, D. D. |
author_facet | Panda, S. K. Dasgupta, I. Şaşıoğlu, E. Blügel, S. Sarma, D. D. |
author_sort | Panda, S. K. |
collection | PubMed |
description | NiS, exhibiting a text-book example of a first-order transition with many unusual properties at low temperatures, has been variously described in terms of conflicting descriptions of its ground state during the past several decades. We calculate these physical properties within first-principle approaches based on the density functional theory and conclusively establish that all experimental data can be understood in terms of a rather unusual ground state of NiS that is best described as a self-doped, nearly compensated, antiferromagnetic metal, resolving the age-old controversy. We trace the origin of this novel ground state to the specific details of the crystal structure, band dispersions and a sizable Coulomb interaction strength that is still sub-critical to drive the system in to an insulating state. We also show how the specific antiferromagnetic structure is a consequence of the less-discussed 90° and less than 90° superexchange interactions built in to such crystal structures. |
format | Online Article Text |
id | pubmed-3801131 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
spelling | pubmed-38011312013-10-21 NiS - An unusual self-doped, nearly compensated antiferromagnetic metal Panda, S. K. Dasgupta, I. Şaşıoğlu, E. Blügel, S. Sarma, D. D. Sci Rep Article NiS, exhibiting a text-book example of a first-order transition with many unusual properties at low temperatures, has been variously described in terms of conflicting descriptions of its ground state during the past several decades. We calculate these physical properties within first-principle approaches based on the density functional theory and conclusively establish that all experimental data can be understood in terms of a rather unusual ground state of NiS that is best described as a self-doped, nearly compensated, antiferromagnetic metal, resolving the age-old controversy. We trace the origin of this novel ground state to the specific details of the crystal structure, band dispersions and a sizable Coulomb interaction strength that is still sub-critical to drive the system in to an insulating state. We also show how the specific antiferromagnetic structure is a consequence of the less-discussed 90° and less than 90° superexchange interactions built in to such crystal structures. Nature Publishing Group 2013-10-21 /pmc/articles/PMC3801131/ /pubmed/24141233 http://dx.doi.org/10.1038/srep02995 Text en Copyright © 2013, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/3.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/ |
spellingShingle | Article Panda, S. K. Dasgupta, I. Şaşıoğlu, E. Blügel, S. Sarma, D. D. NiS - An unusual self-doped, nearly compensated antiferromagnetic metal |
title | NiS - An unusual self-doped, nearly compensated antiferromagnetic metal |
title_full | NiS - An unusual self-doped, nearly compensated antiferromagnetic metal |
title_fullStr | NiS - An unusual self-doped, nearly compensated antiferromagnetic metal |
title_full_unstemmed | NiS - An unusual self-doped, nearly compensated antiferromagnetic metal |
title_short | NiS - An unusual self-doped, nearly compensated antiferromagnetic metal |
title_sort | nis - an unusual self-doped, nearly compensated antiferromagnetic metal |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3801131/ https://www.ncbi.nlm.nih.gov/pubmed/24141233 http://dx.doi.org/10.1038/srep02995 |
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