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ZHANG XIU’E1,* , KANG YONGGANG1
By using the unrestricted Hartree-Fock approximation and the real-space recursion method, we have investigated various magnetic structures in an enlarged double cell of layered perovskite SrCeCoO4. These include the low-spin state ( 6 1 2g g t e ), high-spin state ( 5 2 2g g t e ), as well as all combinations among the two states. Our results show that the magnetic ground state mainly depends on the competition between the crystal field strength Dq and Hund’s coupling j , For a fixed j the magnetic ground state is the high-spin antiferromagnetically ordered state..
Recursion method, Hartree–Fock approximation, Density of state, Layered perovskite, Spin state, Magnetic ground state.
ZHANG XIU’E, KANG YONGGANG, Theoretical study on magnetic ground state in the layered perovskite SrCeCoO4, Optoelectronics and Advanced Materials - Rapid Communications, 8, 5-6, May-June 2014, pp.506-510 (2014).
Submitted at: Oct. 5, 2013
Accepted at: May 15, 2014
Optoelectronics and Advanced Materials - Rapid Communications
(2022): 0.5 - 2022 Journal Citation Reports (Clarivate Analytics, 2023)
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