Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities

This study proposes that the strong correlation of the 3d electrons in Fe is an important key to understanding the stress dependence behavior of Curie temperature (TJ. We proved our proposed hypothesis using density functional theory (DFT) within an LSDA+U (local spin density approximation +U) frame...

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Main Authors: Kanchiang K., Pramchu S., Jareonjittichai A., Laosiritaworn Y.
Format: Journal
Published: 2017
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85021803734&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/40313
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Institution: Chiang Mai University
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spelling th-cmuir.6653943832-403132017-09-28T04:08:48Z Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities Kanchiang K. Pramchu S. Jareonjittichai A. Laosiritaworn Y. This study proposes that the strong correlation of the 3d electrons in Fe is an important key to understanding the stress dependence behavior of Curie temperature (TJ. We proved our proposed hypothesis using density functional theory (DFT) within an LSDA+U (local spin density approximation +U) framework. Applying LSDA+U correction increased both the magnetic moment and magnon energy. The increased magnon energy directly contributed to the higher magnitude of the calculated T c (compared with LSDA). The acquired T c (from LSDA and LSDA+U) decreased with increasing unit cell volume; this was consistent with previous studies. Although introducing an on-site Coulomb interaction yielded the same stress dependence trend of T c compared with the LSDA results, increasing the T c magnitude was more reasonable under mean-field approximation, suggesting that the strong interaction of the 3d electrons in Fe influenced this phenomenon. 2017-09-28T04:08:48Z 2017-09-28T04:08:48Z 3 Journal 16851994 2-s2.0-85021803734 10.12982/CMUJNS.2017.0017 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85021803734&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/40313
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
description This study proposes that the strong correlation of the 3d electrons in Fe is an important key to understanding the stress dependence behavior of Curie temperature (TJ. We proved our proposed hypothesis using density functional theory (DFT) within an LSDA+U (local spin density approximation +U) framework. Applying LSDA+U correction increased both the magnetic moment and magnon energy. The increased magnon energy directly contributed to the higher magnitude of the calculated T c (compared with LSDA). The acquired T c (from LSDA and LSDA+U) decreased with increasing unit cell volume; this was consistent with previous studies. Although introducing an on-site Coulomb interaction yielded the same stress dependence trend of T c compared with the LSDA results, increasing the T c magnitude was more reasonable under mean-field approximation, suggesting that the strong interaction of the 3d electrons in Fe influenced this phenomenon.
format Journal
author Kanchiang K.
Pramchu S.
Jareonjittichai A.
Laosiritaworn Y.
spellingShingle Kanchiang K.
Pramchu S.
Jareonjittichai A.
Laosiritaworn Y.
Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities
author_facet Kanchiang K.
Pramchu S.
Jareonjittichai A.
Laosiritaworn Y.
author_sort Kanchiang K.
title Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities
title_short Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities
title_full Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities
title_fullStr Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities
title_full_unstemmed Revisited stress-dependent curie-temperature in BCC iron: LSDA+U cleansing of magnon ambiguities
title_sort revisited stress-dependent curie-temperature in bcc iron: lsda+u cleansing of magnon ambiguities
publishDate 2017
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85021803734&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/40313
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