• Journal of the Semiconductor & Display Technology
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• v.8 no.2
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• pp.55-58
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• 2009

Density functional theory was used to investigate the adsorption and reaction of $HfCl_4$ with two hydroxyls on Si (001)-$2{\times}1$ surface in atomic layer deposition (ALD) process. We prepared a reasonable Si substrate which consisted of six inter-dimer dissociated $H_2O$ molecules and two intra-dimer dissociated $H_2O$ molecules. The $HfCl_4$must react with two hydroxyls to be a bulk-like structure. When $HfCl_4$ was adsorbed on a hydroxyl, there was energy benefit of -0.55 eV. Though there was energy loss for $HfCl_4$ to react with H of hydroxyl, thermal energy of ALD chamber would be enough to pass the energy barriers. There were five reaction pathways for $HfCl_4$ to react with two hydroxyls; inter-dimer, intra-dimer, cross-dimer, inter-row, and cross-row. Inter-row, inter-dimer and intra-dimer were relatively favorable among the five reaction pathways based on the energy difference. The electron densities between O and Hf in these three reactions were higher than the others and they had shorter Hf-O and O-O bond lengths than the other two reaction pathways.

• Journal of the Korean Ceramic Society
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• v.48 no.6
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• pp.621-624
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• 2011

In order to deposit a homogeneous and uniform ${\beta}$-SiC films by chemical vapor deposition, we constructed the phase-diagram of ${\beta}$-SiC over graphite and silicon via computational thermodynamic calculation considering pressure(P), temperature(T) and gas composition(C) as variables in $C_3H_8-SiCl_4-H_2$ system. During the calculation, the ratio of Cl/Si and C/Si is maintained to be 4 and 1, respectively, and H/Si ratio is varied from 2.67 to 15,000. The P-T-C diagram showed very steep phase boundary between SiC+C and SiC region perpendicular to H/Si axis and also showed SiC+Si region with very large H/Si value of ~6700. The diagram can be applied not only to the prediction of the deposited phase composition but to compositional variation due to the temperature distribution in the reactor. The P-T-C diagram could provide the better understanding of chemical vapor deposition of silicon carbide.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.161-161
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• 2012

질화티타늄(Titanium Nitride, TiN)은 화학적 안정성이 우수하고, N/Ti 원소 비율에 따라 열전도성 및 전기전도성이 변화하는 특성을 가지고 있어서 Metal Insulator Silicon (MIS) 나 Metal Insulator Metal (MIM) capacitor의 metal electrode 물질로 적용되고 있다. $TiCl_4$와 $NH_3$ gas를 이용하여 $500^{\circ}C$ 이상의 고온 조건에서 Chemical Vapor Deposition (CVD) 법으로 TiN 박막을 증착하는 방식이 가장 널리 사용되고 있으나, TiN 박막 내의 Chlorine (Cl) 원소가 SiO2 두께와 누설전류 밀도를 증가시키는 요인으로 작용하므로 Cl의 거동 및 함량 제어를 통한 전기적인 특성의 향상 평가가 요구되고 있다[1-3]. 본 실험에서는 $SiO_2$ 위에 TiN을 적층 한 구조에서 magnetic sector type의 Secondary Ion Mass Spectrometry (SIMS)를 이용하여 Cl 원소의 검출도 개선 방법을 연구하였다. 일반적인 $Cs^+$ 이온을 이용하여 $Cl^-$ 이온을 검출할 경우에는 TiN 하부에 $SiO_2$가 존재함에 따른 charging effect와 mass interference가 발생되는 문제점이 관찰되었다. 이를 개선하기 위해 Cl과 Cs 원소가 결합된 $ClCs^+$ cluster ion을 검출하는 방법을 시도하였으나, Cl- 이온 검출 방식에 비해 오히려 낮은 검출도를 나타내었으나 Cl 원소가 속하는 halogen 족 원소의 높은 전자 친화도 특성을 이용한 $ClCs_2^+$ cluster ion을 검출하는 방법[4]을 적용한 경우에는 $ClCs^+$ 방식에 비해 검출도가 3order 개선되는 결과를 확보하였으며, 이 결과를 토대로 Cl dose ($atoms/cm^2$) 와 Rs (ohm/sq) 간의 상관 관계에 대해 고찰하고자 한다.

• Tribology and Lubricants
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• v.4 no.2
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• pp.36-43
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• 1988

Titanium carbide(TiC) and titanium nitride(TiN) flims were deposited on $Si_3N_4$-TiC composite cutting tools by chemical vapor deposition(CVD) using $TiCl_4-CH_4-H_2$ and $TiCl_4-H_2-N_2$ gas mixtures, respectively. The nonmetal to metal ratio of deposit increases with increasing $m_{C/Ti}$(mole ratio of CH$_4$ to TiCl$_4$ in the input) for TiC coatings and $m_{N/Ti}$(mole ratio of N$_2$ to TiCl$_4$ in the input) for TiN coatings. The nearly stoiahiometric films could be obtained under the deposition condition of $m_{C/Ti}$ between 1.15 and 1.61 for TiC, and that of $m_{N/Ti}$ between 25 and 28 for TiN. Also maximum microhardness of the coatings can be obtained in these ranges. The interfacial region of TiC coatings on $Si_3N_4$-TiC ceramics is wider than that of TiN coatings according to Auger depth profile analysis, which indicates good interfacial bonding for TiC. Experimental results show that TiC coatings have an randomly equiaxed structure and Columnar structure with(220) preferred orientation can be obtained for TiN coatings. And, multilayer coatings have a dense and equiaxed structure.

• Korean Chemical Engineering Research
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• v.49 no.5
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• pp.577-581
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• 2011

Silicon nanoparticles have attracted a great deal of scientific interests due to its intense photoluminescence in the visible spectral region and its potential applications in biological fluorescence maker, RGB (red, green, blue) display, photonics and photovoltaics etc. Practical applications making use of optical and physicochemical properties of Si nanoparticles requires an efficient synthetic method which allows easy modulation of their size, size distribution as well as surface functionalities etc. In this study, a one-pot solution reduction scheme is attempted to prepare alkyl-terminated Si nanoparticles (<10 nm) with Si precursors, (Octyl)$SiCl_3$ or mixture of (Octyl)$SiCl_3$ and $SiCl_4$, containing alkyl-groups using Na(naphthalide) as reducing agent. The surface capping of Si nanoparticles with octyl-groups as well as Si nanoparticle formation was achieved in one-pot reaction. The hexane soluble Si nanoparticles with octyl-termination were in the range of 2-10 nm by TEM and some oxide groups (Si-O-Si) was present on the surface by EDS/FTIR analyses. The optical properties of Si nanoparticles measured by UV-vis and PL evidenced that photoluminescent Si nanoparticles with alkyl-termination was successfully synthesized by solution reduction of alkyl-containing Si precursors in one-pot reaction.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.12 no.4
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• pp.215-221
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• 2002

Epitaxial Si layers were deposited on (100) Si substrates by hot-wall chemical vapor deposition (CVD) technique using the $SiH_2Cl_2/H_2$chemistry. Thermochemical calculations of the Si-H-Cl system were carried out to predict the window of actual Si deposition process and to investigate the effects of process variables (i.e., deposition temperature, reactor pressure, and input gas molar ratio ($H_2/SiH_2Cl_2$)) on the epitaxial growth. The calculated results were in good agreement with the experiment. Optimum process conditions were found to be the deposition temperature of 850~$950^{\circ}C$, the reactor pressure of 2~5 Torr, and the input gas molar ratio ($H_2/SiH_2Cl_2$) of 30~70, providing device-quality epitaxial layers.

• Korean Journal of Materials Research
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• v.14 no.2
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• pp.141-145
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• 2004

Silicon nitride thin films were deposited by atomic layer deposition (ALD) technique in a batch-type reactor by alternating exposures of precursors. XJAKO200414714156408$_4$ or$ SiH_2$$Cl_2$ was used as the Si precursor, $NH_3$ was used as the N precursor, and the deposited films were characterized comparatively. The thickness of the film linearly increased with the number of deposition cycles, so that the thickness of the film can be precisely controlled by adjusting the number of cycles. As compared with the deposition using$ SiCl_4$, the deposition using $SiH_2$$Cl_2$ exhibited larger deposition rate at lower precursor exposures, and the deposited films using $SiH_2$$Cl_2$ had lower wet etch rate in a diluted HF solution. Silicon nitride films with the Si:N ratio of approximately 1:1 were obtained using either Si precursors at $500^{\circ}C$, however, the films deposited using $SiH_2$$Cl_2$ exhibited higher concentration of H as compared with those of the $SiC_4$ case. Silicon nitride thin films deposited by ALD showed similar physical properties, such as composition or integrity, with the silicon nitride films deposited by low-pressure chemical vapor deposition, lowering deposition temperature by more than $200^{\circ}C$.

• Journal of the Korean Ceramic Society
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• v.28 no.8
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• pp.625-625
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• 1991

The specimens for the corrosion test were made by hot-pressing of SiC power with 2 wt% Nl2O3 and 10wt% Al2O3 additions at 2000℃ and 2050℃. The specimens were corroded in 37 mole% NaCl and 63 mole% Na2SO4 salt mixture at 1000℃ up to 60 min. SiO2 layer was formed on SiC and then this oxide layer was dissolved by Na2O ion in the salt mixture. The rate of corrosion of the specimen containing 10 wt% Al2O3 was slower than that of the specimen containing 2 wt% Al2O3. This is due to the presence of continuous grain boundary phase in the specimen containing 10 wt% Al2O3. The oxidation of SiC produced gas bubbles at the SiC-SiO2 interface. The rate of corrosion follows a linear rate law up to 50 min. and then was accelerated. This acceleration is due to the disruption oxide layer by the gas evolution at SiC-SiO2 interface. Pitting corrosion has found at open pores and grain boundaries.

• Journal of the Korean Ceramic Society
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• v.28 no.8
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• pp.626-634
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• 1991

The specimens for the corrosion test were made by hot-pressing of SiC power with 2 wt% Nl2O3 and 10wt% Al2O3 additions at 200$0^{\circ}C$ and 205$0^{\circ}C$. The specimens were corroded in 37 mole% NaCl and 63 mole% Na2SO4 salt mixture at 100$0^{\circ}C$ up to 60 min. SiO2 layer was formed on SiC and then this oxide layer was dissolved by Na2O ion in the salt mixture. The rate of corrosion of the specimen containing 10 wt% Al2O3 was slower than that of the specimen containing 2 wt% Al2O3. This is due to the presence of continuous grain boundary phase in the specimen containing 10 wt% Al2O3. The oxidation of SiC produced gas bubbles at the SiC-SiO2 interface. The rate of corrosion follows a linear rate law up to 50 min. and then was accelerated. This acceleration is due to the disruption oxide layer by the gas evolution at SiC-SiO2 interface. Pitting corrosion has found at open pores and grain boundaries.

• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.845-851
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• 2002

The synthesis of the intramolecular donor - stabilized silyl and germyl complexes of the type ($Cab^c.p) MMe_2X$ (2a:M=Si, X=Cl;2b;M= Ge, X=Cl;2e;M=Si,X=H) was achieved by the reaction of $LiCab^c,p$ (1) with $Me_2SiClX$ and $Me_2GeCl_2$ respectively. The intramolecular M←P interacion in 2a-2c is provided by $^1H$, $13^C.$, $31^P$ and $29^Si$ NMR spectroscopy. The salt elimination reactions of dichlorotetramethyldisilane and -digermane with 1 afforded the $bis(\sigma-carboranylphosphino)disilane$ and disgermane [$(Cab^C.P)MMe_2]_2(4a;M$ = Si;4b: M=Ge). The oxidative addition reaction of 4a-4b with $pd_2(dba)_3CHCl_3afforded$ the bis(silyl)-and bis(germyl)-palladium complexes. The chloro-bridged dipalladium complexes were obtained by the reaction of 2a-2b with $pd_2(dba)_3CHCl_3$ The crystal structures of 5a and 7b were determined by X-ray structural studies.