Journal of the Korean Magnetics Society (한국자기학회지)

The Korean Magnetics Society (한국자기학회)
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Electronic Structure and Magnetism of Fe Monolayer with Periodic Defects

주기적 결함을 가진 철 단층의 전자구조와 자성

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  • 이재일 (인하대학교 물리학과)
  • Published : 2009.10.31
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Abstract

The effect of periodic vacancies to the magnetism of the Fe monolayer was investigated by calculating the electronic structures using the full-potential linearized augmented plane wave method within the GGA approximation. We considered four types of vacancies, point defect, I type, + type, and H type which are consisted of one, three, five and seven vacant sites, respectively. We found that the Fe atoms nearest to the vacancy have the largest magnetic moment in each system, and the value of magnetic moment of the atom was increased as the number of vacancy site is increased. The value of the largest magnetic moment in the systems of point defect, I type, + type, and H type are 3.08, 3.09, 3.15, and 3.30 bohr magnetons, respectively.

주기적 결함이 철 단층의 자성에 미치는 영향을 탐구하기 위해 전전자 총퍼텐셜 보강평면파 에너지 띠 방법을 이용하여 전자구조를 계산하였다. 결함은 원자 한 개가 빈 점결함, 각기 3개, 5개, 7개의 원자자리가 비어 있는 I 자형, + 모양, H 자 모양을 고려하였다. 빈자리에 가까이 있는 철 원자의 자기모멘트가 가장 컸으며, 결함의 원자수가 증가할수록 그 값도 증가하여, 점결함의 경우 3.08 보어마그네톤이었으며, I 자형, + 모양 및 H자 모양의 경우 각기 3.09, 3.15, 3.30 보어마그네톤이었다.

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References

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