Sarma, D. D. ; Shanthi, N. ; Barman, S. R. ; Hamada, N. ; Sawada, H. ; Terakura, K. (1995) Band theory for ground-state properties and excitation spectra of perovskite LaMO3 (M = Mn, Fe, Co, Ni) Physical Review Letters, 75 (6). pp. 1126-1129. ISSN 0031-9007
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Official URL: http://prl.aps.org/abstract/PRL/v75/i6/p1126_1
Related URL: http://dx.doi.org/10.1103/PhysRevLett.75.1126
Abstract
It is shown that the local spin-density approximation describes well electronic structures of perovskite LaMO3 (M=Mn, Fe, Co, Ni) for the ground-state and single-electron excited-state properties. Inclusion of details of crystal structures distorted from the cubic structure is crucial to reproduce different magnetic structures and insulating states. Calculated x-ray photoemission spectra are in very good agreement with experimental ones, and its angular momentum characters are in conformity with ultraviolet photoemission spectra.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 46216 |
| Deposited On: | 02 Jul 2011 13:54 |
| Last Modified: | 19 Jun 2012 10:10 |
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