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Title: A first principles investigation of ferromagnetic EuFe{sub 4}As{sub 12}

Abstract

Density functional theory (DFT) based calculations of electronic and magnetic properties of filled skutterudites EuFe{sub 4}As{sub 12} have been performed using FP-LAPW method within the framework of the LSDA approach. The rare-earth filled skutterudites have attracted much attention because of the presence of the highly localized f-electrons and d- electrons of rare-earth and transition metal respectively, with high density of states near Fermi level. The calculation performed near the Fermi level of density of states shows the compound to be suitable for thermoelectric application. The exchange-splitting of Eu-4f states were analysed to explain the ferromagnetic behaviour of EuFe{sub 4}As{sub 12} with magnetic moment value 5.18 μ{sub B}.

Authors:
; ;  [1];  [2];  [3]
  1. Condensed Matter Theory Research Group, Physics Department, Mizoram University-796004 (India)
  2. Beijing Computational Science Research Center, 3 Heqing Road, Beijing 100084 (China)
  3. Department of Physics, Assam University, Assam-788011 (India)
Publication Date:
OSTI Identifier:
22391710
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1661; Journal Issue: 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; DENSITY FUNCTIONAL METHOD; DENSITY OF STATES; ELECTRONS; EUROPIUM COMPOUNDS; FERMI LEVEL; FERROMAGNETISM; IRON ARSENIDES; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; THERMOELECTRIC MATERIALS; THERMOELECTRIC PROPERTIES

Citation Formats

Shankar, A., E-mail: amitshan2009@gmail.com, Sandeep,, Thapa, R. K., Rai, D. P., and Maibam, J. A first principles investigation of ferromagnetic EuFe{sub 4}As{sub 12}. United States: N. p., 2015. Web. doi:10.1063/1.4915388.
Shankar, A., E-mail: amitshan2009@gmail.com, Sandeep,, Thapa, R. K., Rai, D. P., & Maibam, J. A first principles investigation of ferromagnetic EuFe{sub 4}As{sub 12}. United States. doi:10.1063/1.4915388.
Shankar, A., E-mail: amitshan2009@gmail.com, Sandeep,, Thapa, R. K., Rai, D. P., and Maibam, J. Fri . "A first principles investigation of ferromagnetic EuFe{sub 4}As{sub 12}". United States. doi:10.1063/1.4915388.
@article{osti_22391710,
title = {A first principles investigation of ferromagnetic EuFe{sub 4}As{sub 12}},
author = {Shankar, A., E-mail: amitshan2009@gmail.com and Sandeep, and Thapa, R. K. and Rai, D. P. and Maibam, J.},
abstractNote = {Density functional theory (DFT) based calculations of electronic and magnetic properties of filled skutterudites EuFe{sub 4}As{sub 12} have been performed using FP-LAPW method within the framework of the LSDA approach. The rare-earth filled skutterudites have attracted much attention because of the presence of the highly localized f-electrons and d- electrons of rare-earth and transition metal respectively, with high density of states near Fermi level. The calculation performed near the Fermi level of density of states shows the compound to be suitable for thermoelectric application. The exchange-splitting of Eu-4f states were analysed to explain the ferromagnetic behaviour of EuFe{sub 4}As{sub 12} with magnetic moment value 5.18 μ{sub B}.},
doi = {10.1063/1.4915388},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1661,
place = {United States},
year = {2015},
month = {5}
}