Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism

Abstract A systematic first-principles study has been performed to understand the magnetism of thin film SrRuO3 which lots of research efforts have been devoted to but no clear consensus has been reached about its ground state properties. The relative t 2g level difference, lattice distortion as wel...

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Autores principales:	Siheon Ryee, Myung Joon Han
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/72ab235ce4ff4d1c9f69a6e89cd0e8bf
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spelling	oai:doaj.org-article:72ab235ce4ff4d1c9f69a6e89cd0e8bf2021-12-02T11:53:02ZMagnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism10.1038/s41598-017-04044-62045-2322https://doaj.org/article/72ab235ce4ff4d1c9f69a6e89cd0e8bf2017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-04044-6https://doaj.org/toc/2045-2322Abstract A systematic first-principles study has been performed to understand the magnetism of thin film SrRuO3 which lots of research efforts have been devoted to but no clear consensus has been reached about its ground state properties. The relative t 2g level difference, lattice distortion as well as the layer thickness play together in determining the spin order. In particular, it is important to understand the difference between two standard approximations, namely LDA and GGA, in describing this metallic magnetism. Landau free energy analysis and the magnetization-energy-ratio plot clearly show the different tendency of favoring the magnetic moment formation, and it is magnified when applied to the thin film limit where the experimental information is severely limited. As a result, LDA gives a qualitatively different prediction from GGA in the experimentally relevant region of strain whereas both approximations give reasonable results for the bulk phase. We discuss the origin of this difference and the applicability of standard methods to the correlated oxide and the metallic magnetic systems.Siheon RyeeMyung Joon HanNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Siheon Ryee Myung Joon Han Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism
description	Abstract A systematic first-principles study has been performed to understand the magnetism of thin film SrRuO3 which lots of research efforts have been devoted to but no clear consensus has been reached about its ground state properties. The relative t 2g level difference, lattice distortion as well as the layer thickness play together in determining the spin order. In particular, it is important to understand the difference between two standard approximations, namely LDA and GGA, in describing this metallic magnetism. Landau free energy analysis and the magnetization-energy-ratio plot clearly show the different tendency of favoring the magnetic moment formation, and it is magnified when applied to the thin film limit where the experimental information is severely limited. As a result, LDA gives a qualitatively different prediction from GGA in the experimentally relevant region of strain whereas both approximations give reasonable results for the bulk phase. We discuss the origin of this difference and the applicability of standard methods to the correlated oxide and the metallic magnetic systems.
format	article
author	Siheon Ryee Myung Joon Han
author_facet	Siheon Ryee Myung Joon Han
author_sort	Siheon Ryee
title	Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism
title_short	Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism
title_full	Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism
title_fullStr	Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism
title_full_unstemmed	Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism
title_sort	magnetic ground state of srruo3 thin film and applicability of standard first-principles approximations to metallic magnetism
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/72ab235ce4ff4d1c9f69a6e89cd0e8bf
work_keys_str_mv	AT siheonryee magneticgroundstateofsrruo3thinfilmandapplicabilityofstandardfirstprinciplesapproximationstometallicmagnetism AT myungjoonhan magneticgroundstateofsrruo3thinfilmandapplicabilityofstandardfirstprinciplesapproximationstometallicmagnetism
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Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism

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