• 반도체디스플레이기술학회지
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• 제20권4호
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• pp.16-22
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• 2021

We search for an appropriate initial adsorption coordination of precursor on surface by using genetic algorithm (GA) and density functional theory. SiH₄ and Al(CH₃)₃ as precursor, and OH-terminated Si (001) as surface are used for this study. Selection, crossover, and mutation as hyperparameters of GA are applied to search for the adsorption coordination of the precursors on the surface as a function of generation. Bond distances between precursors and the surface are used to explain the adsorption behavior of the precursors.

• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.691-694
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• 2003

We report a quantum wavepacket study on the characteristic bimodal translational energy distribution of photostimulated desorbed Xe from an oxidized silicon (001) surface observed by Watanabe and Matsumoto, Faraday Discuss. 117 (2000) 203. We have simulated the theoretical translational energy distributions based on wavepacket calculations with a sudden transition and averaging model to reproduce the experiment. We discuss the desorption mechanism and suggest a very strong position dependence of the deexcitation processes for Xe/oxidized Si(001).

• 한국세라믹학회지
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• 제27권5호
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• pp.698-701
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• 1990

The necessary conditions for the growth of high quality Bi12SiO20 single crystals by the Czochralski method have been determined. The interface of melt and crystal was transformed convex to concave above 7 rpm. For growth <001> and <111> directions, facet morphology exhibited 4-fold and 6-fold symmetry. When the crystal of <001> growth direction was broadened, minor facet {110} was developed outstandingly.

• 한국진공학회지
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• 제7권3호
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• pp.237-241
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• 1998

In-situ X-선 산란 방법을 이용하여 R.F. 스퍼터링 방법에 의하여 성장시킨 AIN/Si(111)박막의 우선성장과 표면 거칠기의 성장 시간에 따른 변화를 연구하였다. 대부분 의 성장 조건하에서 초기의 AIN박막은 <001> 우선 성장 방위를 가지고 성장하였다. 하지 만 박막의 두께가 증가함에 따라 우선 성장 방위가 많이 바뀌었는데 이 현상은 높은 기판 온도와 높은 R.F. power에서 더욱 뚜렷이 나타났다. 이러한 현상은 <001> 성장 방위를 선 호하는 표면 에너지와 우선 성장 방위의 무질서도를 증가하게 하는 응력(strain)에너지에 관 련된 것으로 해석된다. 이 실험에서는 X-선 반사율을 측정하여 성장 도중의 표면 현상 또 는 연구하였다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2002년도 추계학술대회 논문집 Vol.15
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• pp.260-263
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• 2002

There is great interest in developing magnetoresistance(MR) sensor, using ferromagnetic, electrically non-magnetic conducting and antiferromagnetic films, especially for the use in weak magnetic fields. Here, we report single and Wheatstone-bridge type of MR sensors made in Si(001)/NiO($300{\AA}$)/NiFe bilayers. Angular dependence of MR profiles was measured in Si(001)/NiO($300{\AA}$)/NiFe($450{\AA})$ films as a function of an angle between current and applied field direction, also, linearity was determined. AMR characteristics of single MR sensors was well explained with single domain model. Good linearity in $45^{\circ}$ Wheatstone-bridge type of MR sensors consisting of 4 single MR sensors made in Si(001)/NiO($300{\AA}$)/NiFe($450{\AA})$ was shown in the range of about ${\leq}{\pm}5$ Oe.

• Bulletin of the Korean Chemical Society
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• 제31권1호
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• pp.162-167
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• 2010

We investigated the adsorption and desorption characteristics of benzene molecules on $Si(001)-2{\times}n$ surfaces using a variable-low temperature scanning tunneling microscopy. When benzene was adsorbed on a $Si(001)-2{\times}n$ surface at a low coverage, five distinct adsorption configurations were found: tight-binding (TB), standard-butterfly (SB), twisted-bridge, diagonal-bridge, and pedestal. The TB and SB configurations were the most dominant ones and could be reversibly interconverted, diffused, and desorbed by applying an electric field between the tip and the surface. The population ratios of the TB and SB configurations were affected by the benzene coverage: at high coverage, the population ratio of SB increased over that of TB, which was favored at low coverage. The desorption yield decreased with increasing benzene coverage and/or density of vacancy defect. These results suggest that the interaction between the benzene molecules is important at a high coverage, and that the vacancy defects modify the adsorption and desorption energies of the benzene molecules on Si(001) surface.

• 반도체디스플레이기술학회지
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• 제17권4호
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• pp.1-5
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• 2018

Atomic force microscopy (AFM) simulation for Si (001) surface defects was conducted by using density functional theory (DFT). Three major defects on the Si (001) surface are difficult to analyze due to external noises that are always present in the images obtained by AFM. Noise-free surface defects obtained by simulation can help identify the real surface defects on AFM images. The surface defects were first optimized by using a DFT code. The AFM tip was designed by using five carbon atoms and positioned on the surface to calculate the system's energy. Forces between tip and surface were calculated from the energy data and converted into an AFM image. The simulated AFM images are noise-free and, therefore, can help evaluate the real surface defects present on the measured AFM images.

• 한국재료학회지
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• 제20권9호
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• pp.463-466
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• 2010

We studied the initial reaction mechanism of Zn precursors, namely, di-methylzinc ($Zn(CH_3)_2$, DMZ) and diethylzinc ($Zn(C_2H_5)_2$, DEZ), for zinc oxide thin-film growth on a Si (001) surface using density functional theory. We calculated the migration and reaction energy barriers for DMZ and DEZ on a fully hydroxylized Si (001) surface. The Zn atom of DMZ or DEZ was adsorbed on an O atom of a hydroxyl (-OH) due to the lone pair electrons of the O atom on the Si (001) surface. The adsorbed DMZ or DEZ migrated to all available surface sites, and rotated on the O atom with low energy barriers in the range of 0.00-0.13 eV. We considered the DMZ or DEZ reaction at all available surface sites. The rotated and migrated DMZs reacted with the nearest -OH to produce a uni-methylzinc ($-ZnCH_3$, UMZ) group and methane ($CH_4$) with energy barriers in the range of 0.53-0.78 eV. In the case of the DEZs, smaller energy barriers in the range of 0.21-0.35 eV were needed for its reaction to produce a uni-ethylzinc ($-ZnC_2H_5$, UEZ) group and ethane ($C_2H_6$). Therefore, DEZ is preferred to DMZ due to its lower energy barrier for the surface reaction.

• 한국결정성장학회지
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• 제9권3호
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• pp.273-279
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• 1999

Si(001)을 기판으로 한 GaN 박막을 성장하기 위하여 hot wall epitaxy(HWE) 장치를 자체 제작하였다. HWE 장치를 이용하여 Si(001) 기판 위에 GaN 박막에 대한 상온에서의 광 발광(PL) 측정에서 GaN 초기층 성장온도가 $700^{\circ}C$ 보다 낮은 온도 조건에서 성장된 GaN 박막이 Zinc blende 구조와 Wurzite 구조가 혼합되어 성장되어지는 것으로 추측되며, $700^{\circ}C$ 이상의 온도에서는 성장된 GaN 박막이 주로 wurtzite 구조로 성장된다는 것을 알 수 있다. 그리고 x-선 회절 측정으로부터 성장한 GaN 박막이 Zinc blende와 Wurtzite의 두가지 구조가 혼합된 형태로 성장되었다는 것을 알 수 있었다. GaN 박막을 성장하기 위한 조건에서 초기층 성장조건은 증발부의 온도 $860^{\circ}C$와 기판부의 온도가 $720^{\circ}C$ 근처에서 4분동안 성장하였을 때 Wurtzite의 특성을 보이며, GaN 박막의 성장조건은 기판부의 온도 $1020^{\circ}C$, 증발부의 온도 $910^{\circ}C$에서 그리고 Ammonia gas의 유량을 120 sccm으로 하였을 때 보다 안정한 Wurtzite 구조특성을 보이게 되었다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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• pp.26-26
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• 2000

High quality epitaxial Y2O3 thin films were prepared on Si(111) and (001) substaretes by using ion beam assisted deposition. As a substrate, clean and chemically oxidized Si wafers were used and the effects of surface state on the film crystallinity were investigated. The crystalline quality of the films were estimated by x-ray scattering, rutherford backscattering spectroscopy/channeling, and high-resolution transmission electron microscopy (HRTEM). The interaction between Y and Si atoms interfere the nucleation of Y2O3 at the initial growth stage, it could be suppressed by the interface SiO2 layer. Therefore, SiO2 layer of the 4-6 layers, which have been known for hindering the crystal growth, could rather enhance the nucleation of the Y2O3 , and the high quality epitaxial film could be grown successfully. Electrical properties of Y2O3 films on Si(001) were measured by C-V and I-V, which revealed that the oxide trap charge density of the film was 1.8$\times$10-8C/$\textrm{cm}^2$ and the breakdown field strength was about 10MV/cm.