Electronic structure and magneto-optical Kerr effect of Fe{sub 3}O{sub 4} and Mg{sup 2+}- or Al{sup 3+}-substituted Fe{sub 3}O{sub 4}
The optical and magneto-optical spectra of charge-ordered magnetite (Fe{sub 3}O{sub 4}) below the Verwey transition and Mg{sup 2+}- and Al{sup 3+}-substituted Fe{sub 3}O{sub 4} are investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band structure method. The electronic structure is obtained with the local spin-density approximation (LSDA), as well as with the so-called LSDA+U approach for which the charge ordering is found to be a stable solution with an energy gap value of 0.19 eV (the experimental value is 0.14 eV) in contrast to a metallic state given by LSDA. The origin of the Kerr rotation realized in the compounds is examined.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40277651
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 13 Vol. 64; ISSN 0163-1829
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
Similar Records
Optical and magneto-optical investigation on electronic structure of ordered ferromagnetic Fe{sub 3}Pt
Temperature driven transition from giant to tunneling magneto-resistance in Fe{sub 3}O{sub 4}/Alq{sub 3}/Co spin Valve: Role of Verwey transition of Fe{sub 3}O{sub 4}