Debnath, Saikat ; Mahadevan, Priya (2016) Electronic structure of Mn0.25TaS2 Journal of Electron Spectroscopy and Related Phenomena, 208 . pp. 74-77. ISSN 0368-2048
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.elspec.2015.11.016
Abstract
The electronic structure of Mn0.25TaS2 has been studied with ab-initio electronic structure calculations. Various magnetic configurations have been considered for the ordering of the spins on Mn. Despite the typical separation of the Mn atoms being ~6 Å, one finds that the ferromagnetic configuration is strongly stabilized. This is traced to a pathway between Mn dz2 orbitals and Ta dz2 orbitals which results in a strong exchange coupling of the Mn spins in the c direction.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Layered Materials; Magnetism; Exchange Pathway |
| ID Code: | 102873 |
| Deposited On: | 02 Feb 2018 03:57 |
| Last Modified: | 02 Feb 2018 03:57 |
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