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- W2891762344 abstract "이차원 사각형 NiO 클러스터의 자기적 상호작용을 제1원리의 범밀도함수법을 이용하여 계산하였다. 그 결과, 자기곤란축은 Ni-Ni을 잇는 방향이었으며, 자기용이축은 이에 면내 수직인 방향이었다. NiO의 자기이방성 에너지는 정사각형일 때 34 cm−1이었으며, Ni-O-Ni 각도가 작아질 때 증가되었다. We calculated the magnetic anisotropy energy of 2-dimensional NiO cluster using OpenMX method based on density functional method with spin-orbit interaction. The calculation results show that the magnetic hard-axis is along the line between Ni and Ni atoms and the easy-axis is perpendicular to the hard-axis within plane. From the total energy fitting, the magnetic anisotropy energy is 34 cm−1 and increased with decreasing Ni-O-Ni angle." @default.
- W2891762344 created "2018-09-27" @default.
- W2891762344 creator A5076086149 @default.
- W2891762344 date "2018-08-31" @default.
- W2891762344 modified "2023-09-25" @default.
- W2891762344 title "The Magnetic Anisotropy Energy Calculations for 2-Dimensional NiO Clusters" @default.
- W2891762344 doi "https://doi.org/10.4283/jkms.2018.28.4.152" @default.
- W2891762344 hasPublicationYear "2018" @default.
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