Journal of the Korean Vacuum Society (한국진공학회지)

The Korean Vacuum Society (한국진공학회)
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A method for determination of diffusion parameters of adatoms using kinetic monte calo simulation

Kinetic Monte Carlo 시뮬레이션을 이용한 흡착 원자의 확산 계수 결정

  • Published : 2000.12.01
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Abstract

We propose a method to obtain various diffusion parameters of deposited atom. By comparing the results of kinetic Mote Carlo (KMC) simulation with the results of STM, HRLEED experiments, we can determine diffusion parameters including the hopping barrier of an adatom on terrace, detachment barrier at the step edge, and well known Schwoebel barrier. It is found that the branch-width, island density, and roughness were suitable atomic scale structure parameters for comparing simulation calculation with experimental results, and especially, it is found that the parameter branch-width which is not widely used in thin film growth study, plays an important role in determining diffusion barriers.

본 연구는 원자의 주변 환경에 따른 각각의 확산 속도를 구할 수 있는 기구를 제시하였다. STM 또는 HRLEED 등의 실험과 kinetic Monte Carlo(KMC) 시뮬레이션 계산과의 비교를 통하여 테라스 위 흡착 원자의 확산장벽, step 끝 부착 원자의 탈착 확산 장벽, 잘 알려진 Schwoebel 장벽을 포함한 각각의 확산 장벽을 구할 수 있었다. 팔-넓이, 군집 밀도, 거칠기 등이 시뮬레이션 계산과 실험 결과를 비교하는 데에 가장 적절한 원자단위의 구조변수들임을 확인하였고, 특히 아직 잘 사용되지 않은 구조 계수인 가지폭이 확산 장벽을 구별하여 구하는 데에 중요한 역할을 하는 것을 확인하였다.

Keywords

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