Published June 2015 | Version v1
Journal article Metadata-only

Study of electronic and magnetic properties in 4f electron based cubic EuAlO3: a first-principles calculation

Creators

  • 1. Department of Physics, Mizoram University Aizawl-796004 (India)
  • 2. Department of Physics, Pachhunga University College, Aizawl-796001 (India)
  • 3. Condensed Matter Physics Research Center, Butwal, Rupandehi (Nepal)
  • 4. Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Departement de Technologie, Université de Mascara, 29000 Mascara, Algerie (Algeria)

Description

The electronic and magnetic properties of EuAlO3 are calculated by first-principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). The exchange and correlation potential is treated with different approximations: mBJ and GGA + U. Coulomb repulsion (U) has been calculated using super-cell calculations for EuAlO3. The GGA + U calculations reveal an indirect band gap of 4.6 eV for EuAlO3 in the spin down channel supporting the half metallic (HM) nature of the system. An effective integral magnetic moment also supported the HM nature of EuAlO3. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/0031-8949/90/6/065803

Additional details

Identifiers

DOI
10.1088/0031-8949/90/6/065803;

Publishing Information

Journal Title
Physica Scripta (Online)
Journal Volume
90
Journal Issue
6
Journal Page Range
[8 p.]
ISSN
1402-4896

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
47124758
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
ALUMINATES; APPROXIMATIONS; CORRELATIONS; COULOMB FIELD; CUBIC LATTICES; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRONS; ENERGY GAP; EUROPIUM COMPOUNDS; INTEGRALS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; POTENTIALS; SPIN; WAVE PROPAGATION
Descriptors DEC
ALUMINIUM COMPOUNDS; ANGULAR MOMENTUM; CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; ELECTRIC FIELDS; ELEMENTARY PARTICLES; FERMIONS; LEPTONS; OXYGEN COMPOUNDS; PARTICLE PROPERTIES; PHYSICAL PROPERTIES; RARE EARTH COMPOUNDS; THREE-DIMENSIONAL LATTICES; VARIATIONAL METHODS