• Journal of the Semiconductor & Display Technology
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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).

• Journal of the Korean Ceramic Society
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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.

• Journal of the Korean Vacuum Society
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• 제7권3호
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• pp.237-241
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• 1998

The growth orientation and the surface roughness of AIN/Si(111) films grown by radio frequency (RF) reactive magnetron sputtering were investigated using in-situ x-ray scattering technique and atomic force microscopy (AFM). AIN films were initially grown with the <001> preferred growth orientation under most growth conditions. As the film gets thicker, however, the growth orientation changes significantly, especially at high substrate temperature and high RF powers. We attribute the observed behavior to the competition between the surface energy that prefers the <001> growth orientation and the strain energy that randomizes the growth orientation. In addition, we investigated the evolution of the surface morphology during the growth using the x-ray reflectivity measurement.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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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.

• Journal of the Semiconductor & Display Technology
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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.

• Korean Journal of Materials Research
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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.

• Journal of the Korean Crystal Growth and Crystal Technology
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• 제9권3호
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• pp.273-279
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• 1999

The home-made hot wall epitaxy (HWE) system was utilized for GaN epitaxial layer growth on the Si(001) substrate. It was appeared that GaN epilayer grow with mixed phase of Zinc blende and Wurtzite structure from photoluminescence (PL) and x-ray diffraction (XRD) analysis at the room temperature. We found that intial growth layer has Wurtzite structure from photoluminescence (PL) and x-ray diffractio (XRD) analyses at the room temperature. Wefound that initial growth layer has Wurtzite structure when initial deposition time, the temperature of substrate and source are 4 min, $720^{\circ}C$ and $860^{\circ}C$ respectively, and at the epi growth process GaN, epilayer was grown with relatively stable Wurtzite structure when the temperature of substrate and source are $1020^{\circ}C$ and $910^{\circ}C$ respectively.

• Proceedings of the Korean Vacuum Society Conference
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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.