Theory of spin and orbital magnetization densities with screened exchange interactions
β Scribed by M.S.S. Brooks
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 178 KB
- Volume
- 345
- Category
- Article
- ISSN
- 0921-4526
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β¦ Synopsis
An approximate orbital dependent treatment of screened exchange interactions is used to replace the local spin density approximation. We report application of this approximation to US and CeFe 2 : For US the spin and orbital moments are 1:25m B and Γ2:92m B ; respectively. For CeFe 2 a detailed analysis of the spin and orbital magnetization densities shows that the measured magnetic amplitude for Ce is consistent with cerium 4f and 5d spin magnetic moments of about Γ0:2m B each, a 4f orbital moment of 0:08m B and a diffuse spin magnetic moment of Γ0:04m B :
π SIMILAR VOLUMES
The on-top pair density P r, r gives the probability that one electron will be found on top Ε½ . of another at position r. We find that the local spin density LSD and generalized Ε½ . gradient GGA approximations for exchange and correlation predict this quantity with remarkable accuracy. We show how t