Exchange integrals and magnetization distribution in BaCu2X2O7 (X=Ge,Si)
| dc.creator | Bertaina, Sylvain | |
| dc.creator | Hayn, Roland | |
| dc.date | 2006-07-05 | |
| dc.date.accessioned | 2026-07-07T07:15:51Z | |
| dc.date.available | 2026-07-07T07:15:51Z | |
| dc.description | Estimating the intrachain and interchain exchange constants in BaCu2X2O7 (X=Ge,Si) by means of density-functional calculations within the local spin-density approximation (LSDA) we find the Ge compound to be a more ideal realization of a one-dimensional spin chain with Dzyaloshinskii-Moriya interaction than its Si counterpart. Both compounds have a comparable magnitude of interchain couplings in the range of 5-10 K, but the nearest neighbor intrachain exchange of the Ge compound is nearly twice as large as for the Si one. Using the LSDA+U method we predict the detailed magnetization density distribution and especially remarkable magnetic moments at the oxygen sites. | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0607108 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0607108 | |
| dc.identifier | Physical Review B 73 (2006) 212409 | |
| dc.identifier | doi:10.1103/PhysRevB.73.212409 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/113367 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | Exchange integrals and magnetization distribution in BaCu2X2O7 (X=Ge,Si) | |
| dc.type | text |