Baidya, Santu ; Sanyal, Prabuddha ; Das, Hena ; Roessli, Bertrand ; Chatterji, Tapan ; Saha-Dasgupta, T. (2011) Understanding neutron scattering data in YMn2O5: an effective spin Hamiltonian Physical Review B: Condensed Matter and Materials Physics, 84 (5). 054444_1-054444_9. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v84/i5/e054444
Related URL: http://dx.doi.org/10.1103/PhysRevB.84.054444
Abstract
We construct an effective spin Hamiltonian for YMn2O5 through analysis of first-principles density-functional theory results. Using our first-principles-derived spin Hamiltonian we calculate the magnon dispersion of this compound and compare with the experimentally measured spectra probed using inelastic neutron scattering. Our first-principles-derived set of magnetic interaction parameters show the importance of the Mn1-Mn2 interaction along the b axis, which was ignored in the literature. We provide justification in favor of our first-principles-derived parameters.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 65063 |
| Deposited On: | 15 Oct 2011 12:03 |
| Last Modified: | 15 Oct 2011 12:03 |
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