High magnetocrystalline anisotropy in oxides with near cubic local environments

Xin Chen; David Parker; Khuong P. Ong; Mao Hua Du; David J. Singh

doi:10.1063/1.4795314

High magnetocrystalline anisotropy in oxides with near cubic local environments

Xin Chen, David Parker, Khuong P. Ong, Mao Hua Du, David J. Singh

Materials Theory

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8 Scopus citations

Abstract

We investigate magnetic coercivity in double perovskite related oxides, based on first principles calculations of the magnetic properties and magnetocrystalline anisotropy. The Re-based materials studied have large magnetic moments on Re (nearly 1 μ_B in Sr₂CrReO ₆) and relatively large magnetocrystalline anisotropy energies. This is unexpected considering the octahedral coordination. Based on this, we studied an intergrowth of double perovskite Sr₂CrReO₆-like and SrTiO₃-like blocks. We obtain a very high predicted coercive field in excess of 90 T. This shows that it is possible to have large coercive fields arising from magnetocrystalline anisotropy associated with transition elements in nearly cubic local environments.

Original language	English
Article number	102403
Journal	Applied Physics Letters
Volume	102
Issue number	10
DOIs	https://doi.org/10.1063/1.4795314
State	Published - Mar 11 2013

Funding

Work at ORNL was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Work at IHPC was supported by the Institute of High Performance Computing and the Agency for Science Technology and Research (A*STAR).

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10.1063/1.4795314

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title = "High magnetocrystalline anisotropy in oxides with near cubic local environments",

abstract = "We investigate magnetic coercivity in double perovskite related oxides, based on first principles calculations of the magnetic properties and magnetocrystalline anisotropy. The Re-based materials studied have large magnetic moments on Re (nearly 1 μB in Sr2CrReO 6) and relatively large magnetocrystalline anisotropy energies. This is unexpected considering the octahedral coordination. Based on this, we studied an intergrowth of double perovskite Sr2CrReO6-like and SrTiO3-like blocks. We obtain a very high predicted coercive field in excess of 90 T. This shows that it is possible to have large coercive fields arising from magnetocrystalline anisotropy associated with transition elements in nearly cubic local environments.",

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AU - Chen, Xin

AU - Parker, David

AU - Ong, Khuong P.

AU - Du, Mao Hua

AU - Singh, David J.

PY - 2013/3/11

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N2 - We investigate magnetic coercivity in double perovskite related oxides, based on first principles calculations of the magnetic properties and magnetocrystalline anisotropy. The Re-based materials studied have large magnetic moments on Re (nearly 1 μB in Sr2CrReO 6) and relatively large magnetocrystalline anisotropy energies. This is unexpected considering the octahedral coordination. Based on this, we studied an intergrowth of double perovskite Sr2CrReO6-like and SrTiO3-like blocks. We obtain a very high predicted coercive field in excess of 90 T. This shows that it is possible to have large coercive fields arising from magnetocrystalline anisotropy associated with transition elements in nearly cubic local environments.

AB - We investigate magnetic coercivity in double perovskite related oxides, based on first principles calculations of the magnetic properties and magnetocrystalline anisotropy. The Re-based materials studied have large magnetic moments on Re (nearly 1 μB in Sr2CrReO 6) and relatively large magnetocrystalline anisotropy energies. This is unexpected considering the octahedral coordination. Based on this, we studied an intergrowth of double perovskite Sr2CrReO6-like and SrTiO3-like blocks. We obtain a very high predicted coercive field in excess of 90 T. This shows that it is possible to have large coercive fields arising from magnetocrystalline anisotropy associated with transition elements in nearly cubic local environments.

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High magnetocrystalline anisotropy in oxides with near cubic local environments

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