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Phys. Rev. B 80, 075112 (2009) [5 pages]

Anisotropic exchange interactions of spin-orbit-integrated states in Sr2IrO4

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Hosub Jin1, Hogyun Jeong2, Taisuke Ozaki3, and Jaejun Yu1,4,*
1Department of Physics and Astronomy and Center for Strongly Correlated Materials Research, Seoul National University, Seoul 151-747, Korea
2Computational Science and Technology Interdisciplinary Program, Seoul National University, Seoul 151-747, Korea
3Research Center for Integrated Science, Japan Advanced Institute of Science and Technology, Nomi, Ishikawa 923-1292, Japan
4Center for Theoretical Physics, Seoul National University, Seoul 151-747, Korea

Received 29 June 2009; published 13 August 2009

We present a microscopic model for the anisotropic exchange interactions in Sr2IrO4. A direct construction of Wannier functions from first-principles calculations proves the jeff=1/2 character of the spin-orbit integrated states at the Fermi level. An effective jeff-spin Hamiltonian explains the observed weak ferromagnetism and anisotropy of antiferromagnetically ordered magnetic state, which arise naturally from the jeff=1/2 state with a rotation of IrO6 octahedra. It is suggested that Sr2IrO4 is a unique class of materials with effective exchange interactions in the spin-orbital Hilbert space.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.80.075112
DOI:
10.1103/PhysRevB.80.075112
PACS:
71.30.+h, 71.20.−b, 71.70.Ej, 75.30.Gw

*Corresponding author; jyu@snu.ac.kr

 
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