Sarkar, Soumyajit ; Kanungo, Sudipta ; Saha-Dasgupta, T. (2010) Ab initio study of low-dimensional quantum spin systems Sr3NiPtO6, Sr3CuPtO6, and Sr3NiIrO6 Physical Review B: Condensed Matter and Materials Physics, 82 (23). 235122_1-235122_9. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v82/i23/e235122
Related URL: http://dx.doi.org/10.1103/PhysRevB.82.235122
Abstract
Using first-principles density-functional theory, we investigate the electronic structure of a class of low-dimensional quantum spin systems of general formula A3BB'O6, which has drawn recent interest due to their intriguing magnetic properties. In our study, we focus on three compounds, Sr3NiPtO6, Sr3CuPtO6, and Sr3NiIrO6, formed from choices of 3d and 5d elements in B and B' sites. Based on our first-principles calculations, we derive the magnetic interactions and the single-ion anisotropies, which define the underlying spin models for the three compounds. Our study forms the basis for future investigations.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 65068 |
| Deposited On: | 15 Oct 2011 12:02 |
| Last Modified: | 15 Oct 2011 12:02 |
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