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Title: Study of the electronic and magnetic properties of EuAlO{sub 3} using FP-LAPW method

The electronic and magnetic properties of EuAlO{sub 3} is calculated by first-principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). Density of states (DOS), magnetic moments and band structures of the systems are presented. For the exchange and correlation energy, local spin density approximation (LSDA+U) with the inclusion of Hubbard potential U is used. Our calculation showed an indirect band gap of the order of 4 eV for EuAlO{sub 3} in the spin down channel of the DOS and band structures supporting HMF nature of the system. The effective magnetic moment of 6.00 µ{sub B} also supported the above conclusion with an integral value. The DOS of Eu were found responsible for the HMF nature of the system.
Authors:
; ; ;  [1] ;  [2]
  1. Department of Physics, Mizoram University, Aizawl, Mizoram, India, 796004 (India)
  2. National Institute for Material Sciences, Tsukuba (Japan)
Publication Date:
OSTI Identifier:
22391712
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; 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)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALUMINATES; APPROXIMATIONS; DENSITY FUNCTIONAL METHOD; DENSITY OF STATES; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; ENERGY GAP; EUROPIUM COMPOUNDS; EV RANGE; HUBBARD MODEL; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; POTENTIALS; SPIN; WAVE PROPAGATION