Published February 8, 2006
| Version v1
Journal article
Spin-singlet contributions to zero-field splitting of a 3d4 ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2
- 1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China)
- 2. International Centre for Materials Physics, Academia Sinica, Shenyang 110016 (China)
- 3. CCAST (World Lab.), PO Box 8730, Beijing 100080 (China)
- 4. Department of Physics, Sichuan University, Chengdu 610065 (China)
Description
The complete energy matrix including all the spin states is constructed for d4 ions in tetragonal symmetry within a strong-field representation. The excitation levels, fine-structure splitting, and EPR parameters in Rb2CrCl4 and CrF2 are studied with the energy matrix. The contributions of the spin singlets to zero-field splitting (ZFS) are investigated for the first time. The results show that the spin-singlet contribution to D is negligible, but the contributions to a and F cannot be neglected
Availability note (English)
Available online at http://stacks.iop.org/0953-8984/18/1705/cm6_5_023.pdf or at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/Additional details
Identifiers
- URL
- http://stacks.iop.org/0953-8984/18/1705/cm6_5_023.pdf;
- DOI
- 10.1088/0953-8984/18/5/023;
- PII
- S0953-8984(06)12695-8;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 18
- Journal Issue
- 5
- Journal Page Range
- p. 1705-1713
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37061401
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- CHROMIUM FLUORIDES; CHROMIUM IONS; ELECTRON SPIN RESONANCE; EXCITATION; FINE STRUCTURE; RUBIDIUM COMPOUNDS; SPIN; SYMMETRY; TETRAGONAL LATTICES
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ANGULAR MOMENTUM; CHARGED PARTICLES; CHROMIUM COMPOUNDS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; ENERGY-LEVEL TRANSITIONS; FLUORIDES; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; IONS; MAGNETIC RESONANCE; PARTICLE PROPERTIES; RESONANCE; TRANSITION ELEMENT COMPOUNDS