Published August 2008
| Version v1
Journal article
The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH3(CH2)2PO3(H2O)]
Creators
- 1. International Center of Materials Physics, Chinese Academy of Science, Shengyang 110015 (China)
- 2. Department of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)
Description
The density-functional theory (DFT) within the full potential linearized augmented plane wave (FPLAPW) method was applied to study the layered organic-inorganic hybrid Fe[CH3(CH2)2PO3(H2O)]. The relative stability of the ground state, the electronic band structure, the magnetic and the conducting properties were investigated. The calculations reveal that the compound has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 4.0 μB, which is mainly from Fe(II) ion. By analysis of the band structure, we find that the compound has half-metallic properties
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jmmm.2008.03.027Additional details
Identifiers
- DOI
- 10.1016/j.jmmm.2008.03.027;
- PII
- S0304-8853(08)00334-X;
Publishing Information
- Journal Title
- Journal of Magnetism and Magnetic Materials
- Journal Volume
- 320
- Journal Issue
- 15
- Journal Page Range
- p. 2074-2077
- ISSN
- 0304-8853
- CODEN
- JMMMDC
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 40009238
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; GROUND STATES; IRON COMPOUNDS; IRON IONS; MAGNETIC MOMENTS; ORGANIC PHOSPHORUS COMPOUNDS; ORGANOMETALLIC COMPOUNDS; SPIN; WAVE PROPAGATION
- Descriptors DEC
- ANGULAR MOMENTUM; CALCULATION METHODS; CHARGED PARTICLES; ENERGY LEVELS; IONS; MAGNETIC MATERIALS; MATERIALS; ORGANIC COMPOUNDS; PARTICLE PROPERTIES; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.