Electronic Structure And Magnetic Properties Of Rhombohedral Cr2S3
Abstract
The energy bands, density of states and Compton profile of Cr2S3 have been computed using band structure methods namely linear combination of atomic orbitals with density functional theory as well as by spin polarized relativistic Kronig-Kramer-Rostokar method. To analyze the theoretical data on electron momentum densities, the Compton profile of Cr2S3 has been measured using 100mCi 241Am Compton spectrometer. The isotropic profile satisfies the calculated profiles. The band structure calculations are also compared with the available data.
- Publication:
-
International Conference on Magnetic Materials (ICMM-2010)
- Pub Date:
- June 2011
- DOI:
- Bibcode:
- 2011AIPC.1347..123S
- Keywords:
-
- band structure;
- relativistic band structure calculations;
- electronic structure;
- dichroism;
- 71.20.Be;
- 71.15.Rf;
- 75.75.Lf;
- 78.20.Fm;
- Transition metals and alloys;
- Relativistic effects;
- Birefringence