• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2002년도 하계학술대회 논문집
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• pp.314-317
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• 2002

Since the early work of Tersoff and Hamann on the theory of the scanning tunneling microscope (STM), many theoretical approaches have been developed in order to gain further physical insight into the real space image that this technique provides. In this Paper, the STM image of Carbon nanotubes (CNT's) was calculated through the theoretical study. The optimized structure of CNT's was simulated using Brenner's hydrocarbon potential. The structure of simulation is (5. 5) armchair CNT and (10. 0) zigzag CNT. Also we have used that the extended Huckel tight binding (EHTB) theory already provides a fairly good qualitative description of the main processes that control the final contrast in the STM image. we found that the shape of the calculated images is hardly dependent on the exact electronic charge distribution at the surface. The STM images are not too sensitive to the precise electronic structure but, rather, they reflect its qualitative features. As a result of the simulation, The STM images of CNT's and the electronic density distribution were investigated. It found that the EHTB theory is appropriate for STM image calculation and that the STM images are in agreement with the result of Experiment.

• Bulletin of the Korean Chemical Society
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• 제28권1호
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• pp.81-84
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• 2007

Ab initio periodic Hartree-Fock calculations with the full potential and minimum basis set are applied to interpretation of scanning tunneling microscope (STM) and atomic force microscope (AFM) images on 1TVTe2. Our results show that the simulated STM image shows asymmetry while the simulated AFM image shows the circular electron densities at the bright spots without asymmetry of electron density to agree with the experimental AFM image. The bright spots of both the STM and AFM images of VTe2 are associated with the surface Te atoms, while the patterns of bright spots of STM and AFM images are different.

• Bulletin of the Korean Chemical Society
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• 제28권1호
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• pp.85-88
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• 2007

Ab initio periodic Hartree-Fock calculations with the full potential and minimum basis set are applied to interpretation of scanning tunneling microscope (STM) and atomic force microscope (AFM) images on 1TVTe2. Our results show that the simulated STM image shows asymmetry while the simulated AFM image shows the circular electron densities at the bright spots without asymmetry of electron density to agree with the experimental AFM image. The bright spots of both the STM and AFM images of VTe2 are associated with the surface Te atoms, while the patterns of bright spots of STM and AFM images are different.

• 전기화학회지
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• 제3권2호
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• pp.104-108
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• 2000

전기화학에 있어서 전극 물질의 실제 거칠기(real roughness)를 아는 것은 매우 중요하다. 그러나 여러 가지 이유 때문에 전극 물질의 절대적인 거칠기를 아는 것은 불가능하다. 여기에서는 scanning tunneling microscopy (STM), 순환전압전류법을 이용하여 전기화학에서 자주 사용하는 다결정 금 전극의 거칠기를 구하여 Au(111), HOPG로부터 구한 거칠기와 비교해 보았다. STM으로부터 얻은 다결정 금전극의 거칠기는 $1.1(\pm0.1)$,산소의 탈착으로부터는 $2.4(\pm0.7)$, N-docosyl-N'-methyl viologen의 흡착으로부터 는 $1.6(\pm0.1)$이 얻어졌다.

• Bulletin of the Korean Chemical Society
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• 제32권1호
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• pp.281-285
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• 2011

We investigated the effects of tunneling current on scanning tunneling microscopy (STM) images of 1-octanethiol (OT) and 1-decanethiol (DT) self-assembled monolayers (SAMs). At a low tunneling current, the domain boundaries and ordered alkanethiol molecules were clearly resolved. As the tunneling current was increased at a constant bias voltage, however, the STM images showed disordered structures of the OT and DT SAMs. As the tunneling current was reduced back to low values, the ordered structures of the alkanethiol molecules reappeared. The reversibility of the process suggests that the sulfur head groups did not rearrange under any of the tunneling current conditions. On the basis of our observations, which are inconsistent with the standard model for STM imaging of molecules on metal surfaces, we consider the STM imaging mechanism in terms of a two-region tunneling junction model.

• Bulletin of the Korean Chemical Society
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• 제33권12호
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• pp.4155-4160
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• 2012

We characterized the physisorption of p-iodo-phenyl octadecyl ether molecules (I-POE) onto superlattice regions of graphite surfaces using scanning tunneling microscopy (STM). The formation of self-organized I-POE monolayers does not affect the overall structures of moir$\acute{e}$ patterns and their modulation periods. However, the packing density of the I-POE monolayer and the orientations of lamella structures were sensitive to the underlying superlattice structure. Depending on the bias voltage, the STM images selectively showed moir$\acute{e}$ pattern, I-POE layer, or both. Reflecting the local density of states at a certain energy level, the STM images thereby revealed the relative energy level scale of the superlattice with respect to the molecular orbitals of I-POE.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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• pp.151-151
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• 2000

We have studied the atomic structure of Si(100)-c(4$\times$4) reconstruction using scanning tunneling microscopy(STM). The c(4$\times$4) reconstruction can be formed by annealing the hydrogen exposured surface at temperatures between 850 and 960 K. At this temperature ranges, adsorbed hydrogen atoms are all desorbed. Therefore, the c(4$\times$4) reconstruction is due to the Si dimers on surface. The filled and empty state images of the STM were interpreted in terms of Si dimers in c(4$\times$4) primitive cell forming the reconstruction. Based on the STM images and hydrogen adsorption experiment on c(4$\times$40 surface, we suggest that Si dimers in c(4$\times$40 unit cell are perpendicular ad-dimer to the underlying Si dimer rows.

• 대한화학회지
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• 제63권5호
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• pp.323-326
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• 2019

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.175.1-175.1
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• 2014

Despite growing interest in Ge as a possible alternative to Si, reliable data on Ge surface has been relatively scarce. Using low temperature scanning tunneling microscopy (STM), we investigate band-bending effects of localized charge traps at Ge(001) surface at 78 K. For this investigation, we prepared nearly defect-free Ge(001) surface by keeping the background pressure to < $1{\times}10^{-10}$ mbar during outgassing. Ge(001) surfaces this obtained exhibit a flat-band condition, and deposition of charge traps induce a distinct, sharp boundary between pinned and depinned surface area in the constant current mode STM images. We will show the tip-surface interaction plays an essential role in producing the boundary, and discuss about the conditions that enable the pinning effect.

• 한국진공학회지
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• 제17권5호
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• pp.387-393
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• 2008

제일원리계산 방법을 이용하여 Ag/Si(111)$\sqrt{3}{\times}\sqrt{3}$(이후로 $\sqrt{3}-Ag$로 표시) 표면에 은 원자가 추가로 흡착된 표면의 원자구조와 에너지를 조사하였다. 은의 덮임율을 0.02 ML에서 0.14 ML로 변화시켜가며 구조변화를 살펴보았다. 흡착된 은 원자들은 대부분 $\sqrt{3}-Ag$ 표면의 은 원자층의 작은 삼각형(ST)의 중간에 자리 잡았다. 특이한 것은 은 원자들은 은 원자층 보다 아래로 내려간다는 것이다. 은 흡착원자(adatom)의 덮임율이 증가함에 따라 adatom들은 클러스터를 만들려는 경향을 보였다. 은 흡착원자들이 모인 클러스터의 에너지를 계산해 보면 흡착원자가 세 개일 때 가장 안정됨을 알 수 있었다. 이 삼원자 클러스터를 구성 단위로 하여 $\sqrt{21}{\times}\sqrt{21}$ 구조의 원자구조를 결정할 수 있었다. 각 덮임율에서 가장 에너지가 낮은 구조들에 대한 STM 영상을 시뮬레이션 해 보면 은 원자는 찬 상태에서 어둡게 보였다. 이는 은 원자가 기판으로 전하를 제공해 줌을 의미한다. 그리고 원자층의 구조변화가 STM 실험에서 보이는 미세한 특성까지도 잘 설명하였다.