| Autor: |
Vamshi M. Katukuri, Viktor Yushankhai, Liudmila Siurakshina, Jeroen van den Brink, Liviu Hozoi, Ioannis Rousochatzakis |
| Jazyk: |
angličtina |
| Rok vydání: |
2014 |
| Předmět: |
|
| Zdroj: |
Physical Review X, Vol 4, Iss 2, p 021051 (2014) |
| Druh dokumentu: |
article |
| ISSN: |
2160-3308 |
| DOI: |
10.1103/PhysRevX.4.021051 |
| Popis: |
By ab initio many-body quantum chemistry calculations, we determine the strength of the symmetric anisotropy in the 5d^{5} j≈1/2 layered material Ba_{2}IrO_{4}. While the calculated anisotropic couplings come out in the range of a few meV, orders of magnitude stronger than in analogous 3d transition-metal compounds, the Heisenberg superexchange still defines the largest energy scale. The ab initio results reveal that individual layers of Ba_{2}IrO_{4} provide a close realization of the quantum spin-1/2 Heisenberg-compass model on the square lattice. We show that the experimentally observed basal-plane antiferromagnetism can be accounted for by including additional interlayer interactions and the associated order-by-disorder quantum-mechanical effects, in analogy to undoped layered cuprates. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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