Published March 2018
| Version v1
Journal article
Spin state transition in Bi1−xLaxCoO3 perovskite alloys: DFT+U study
- 1. Laboratoire de Physique Computationnelle des Matériaux, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès, 22000 (Algeria)
- 2. Département de Physique, Institut de Sciences de la nature et de vie & Sciences exactes (SNV-SE), Centre Universitaire Ahmed ZABANA, Relizane, Relizane, 48000 (Algeria)
- 3. Laboratoire d'Elaboration et Caractérisation Physico Mécanique et Métallurgique des Matériaux (ECP3M), Département de Génie Electrique, Faculté des Sciences et de la Technologie, Université Abdel Hamid Ibn Badis de Mostaganem, 27000 (Algeria)
Description
Highlights: • The spin-state transition in perovskite materials. • Structural and magnetic ground states are determined by LSDA+U. • The structural transition is connected with a spin-state transition. • La-substitution improves all properties related to spin state transition of Bi1−xLaxCoO3 alloy.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.matchemphys.2017.12.085Additional details
Identifiers
- DOI
- 10.1016/j.matchemphys.2017.12.085;
- PII
- S0254058417310416;
Publishing Information
- Journal Title
- Materials Chemistry and Physics
- Journal Volume
- 207
- Journal Page Range
- p. 507-512
- ISSN
- 0254-0584
- CODEN
- MCHPDR
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 49096621
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- ALLOYS; DENSITY FUNCTIONAL METHOD; GROUND STATES; MATERIALS; PEROVSKITE; SPIN
- Descriptors DEC
- ANGULAR MOMENTUM; CALCULATION METHODS; ENERGY LEVELS; MINERALS; OXIDE MINERALS; PARTICLE PROPERTIES; PEROVSKITES; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.