Journal of the Korean Magnetics Society (한국자기학회지)

The Korean Magnetics Society (한국자기학회)
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The Magnetic Structure and Magnetic Anisotropy Energy Calculations for Transition Metal Mono-oxide Clusters

전이금속산화물 클러스터의 자기구조 및 자기이방성에너지 계산

  • 박기택 (국민대학교 나노전자물리학과)
  • Received : 2010.12.14
  • Accepted : 2011.02.07
  • Published : 2011.02.28
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Abstract

We have studied magnetic structure and magnetic anisotropy energy of cubic transition metal mono-oxide cluster FeO and MnO using OpenMX method based on density functional method. The calculation results show that the antiferromagnetic spin arrangement has the lowest energy for FeO and MnO due to the superexchange interactions. The magnetic anisotropy is only found for antiferromagnetically ordered FeO cluster, since occupied electron of 3d down-spin level induces the spin-orbit couplings with <111> directed angular momentum.

정육면체 전이금속 산화물 FeO, MnO의 자기적 상호작용을 제1원리의 범밀도함수법을 이용하여 계산하였다. 그 결과, 모두 초교환작용으로 인해 반강자성적 상호작용이 가장 낮은 에너지를 가지고 있었다. 자기이방성은 반강자성 스핀 배열의 FeO 클러스터에서만 발견되었다. 그 원인은 <111> 방향으로 각운동량을 가지는 3d down-spin 전자의 스핀-궤도 결합에 기인하였다.

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References

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