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Title: Revisited Stress-Dependent Curie-Temperature in BCC Iron: LSDA+U Cleansing of Magnon Ambiguities
Authors: Kanokwan Kanchiang
Sittichain Pramchu
Atchara Punya Jareonjittichai
Yongyut Laosiritaworn
Keywords: Stress dependence
Curie temperature
Body-centered cubic iron
Frozen spin spiral
Issue Date: 2017
Publisher: Chiang Mai University
Citation: Chiang Mai University (CMU) Journal of Natural Sciences 16, 3 (Jul-Sep 2017), 207-214
Abstract: 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 (Tc). 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 Tc (compared with LSDA). The acquired Tc (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 Tc compared with the LSDA results, increasing the Tc magnitude was more reasonable under meanfield approximation, suggesting that the strong interaction of the 3d electrons in Fe influenced this phenomenon.
Description: Chiang Mai University (CMU) Journal of Natural Sciences is dedicated to the publication of original research in Sciences &Technology and the Health Sciences. Submissions are welcomed from CMU, as well as other Thai and foreign institutions. All submissions must be original research not previously published or simultaneously submitted for publication. Manuscripts are peer reviewed using the double -blinded review system by at least 2 reviewers before acceptance. The CMU Journal of Natural Sciences is published four times a year, in January, April, July and October.
ISSN: 2465-4337
Appears in Collections:CMUL: Journal Articles

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