[논문]Growth Mechanism of SiC CVD: Surface Etching by H2, H Atoms, and HCl

Sukkaew, Pitsiri; Danielsson, Ö; rjan; Ojamä; e, Lars

doi:10.1021/acs.jpca.7b10800

Growth Mechanism of SiC CVD: Surface Etching by H2, H Atoms, and HCl 원문보기

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.122 no.9, 2018년, pp.2503 - 2512

Sukkaew, Pitsiri (Department of Physics, Chemistry and Biology , Linkö) , Danielsson, Örjan (ping University , SE−) , Ojamäe, Lars (581 83 Linkö)

Abstract ▼ AI-Helper

Silicon carbide is a wide bandgap semiconductor with unique characteristics suitable for high temperature and high power applications. Fabrication of SiC epitaxial layers is usually performed using chemical vapor deposition (CVD). In this work, we use quantum chemical density functional theory (B3LYP and M06-2X) and transition state theory to study etching reactions occurring on the surface of SiC during CVD in order to combine etching effects to the surface kinetic model for SiC CVD. H2, H atoms and HCl gases are chosen in the study as the most likely etchants responsible for surface etching. We consider etchings of four surface sites, namely CH3(ads), SiH3CH2(ads), SiH2(CH2)2(ads), and SiH(CH2)3(ads), which represent four subsequent snapshots of the surface as the growth proceeds. We find that H atoms are the most effective etchant on CH3(ads) and SiH3CH2(ads), which represent the first and second steps of the growth. HCl and H2 are shown to be much less effective than H atoms and produce the etching rate constants which are ∼104 and ∼107 times slower. In comparison to CH3(ads), SiH3CH2(ads) is shown to be less stable and more susceptible to etchings. Unlike the first and second steps of the growth, the third and fourth steps (i.e., SiH2(CH2)2(ads) and SiH(CH2)3(ads)) are stable and much less susceptible to any of the three etchants considered. This implies that the growth species become more stable via forming Si-C bonds with another surface species. The formation of a larger surface cluster thus helps stabilizing the growth against etchings.[FIG OMISSION]

참고문헌 (35)

Kimoto, Tsunenobu. Material science and device physics in SiC technology for high-voltage power devices. Japanese journal of applied physics, vol.54, no.4, 040103-.

상세보기
Castellazzi, A., Fayyaz, A., Romano, G., Yang, L., Riccio, M., Irace, A.. SiC power MOSFETs performance, robustness and technology maturity. Microelectronics reliability, vol.58, 164-176.

상세보기
Phan, Hoang-Phuong, Dao, Dzung Viet, Nakamura, Koichi, Dimitrijev, Sima, Nguyen, Nam-Trung. The Piezoresistive Effect of SiC for MEMS Sensors at High Temperatures: A Review. Journal of microelectromechanical systems : a joint IEEE and ASME publication on microstructures, microactuators, microsensors, and microsystems, vol.24, no.6, 1663-1677.

상세보기
Pedersen, Henrik, Leone, Stefano, Kordina, Olof, Henry, Anne, Nishizawa, Shin-ichi, Koshka, Yaroslav, Janzén, Erik. Chloride-Based CVD Growth of Silicon Carbide for Electronic Applications. Chemical reviews, vol.112, no.4, 2434-2453.

상세보기
Choy, K.L.. Chemical vapour deposition of coatings. Progress in materials science, vol.48, no.2, 57-170.

상세보기
Sukkaew, Pitsiri, Danielsson, Örjan, Kordina, Olof, Janzén, Erik, Ojamäe, Lars. Ab Initio Study of Growth Mechanism of 4H–SiC: Adsorption and Surface Reaction of C₂H₂, C₂H₄, CH₄, and CH₃. The journal of physical chemistry. C, Nanomaterials and Interfaces, vol.121, no.2, 1249-1256.

상세보기
Sukkaew, Pitsiri, Kalered, Emil, Janzén, Erik, Kordina, Olof, Danielsson, Örjan, Ojamäe, Lars. Growth Mechanism of SiC Chemical Vapor Deposition: Adsorption and Surface Reactions of Active Si Species. The journal of physical chemistry. C, Nanomaterials and Interfaces, vol.122, no.1, 648-661.

상세보기
Hassan, J., Bergman, J.P., Henry, A., Janzén, E.. In-situ surface preparation of nominally on-axis 4H-SiC substrates. Journal of crystal growth, vol.310, no.20, 4430-4437.

상세보기
Glass, Stefan, Reis, Felix, Bauernfeind, Maximilian, Aulbach, Julian, Scholz, Markus R., Adler, Florian, Dudy, Lenart, Li, Gang, Claessen, Ralph, Schäfer, Jörg. Atomic-Scale Mapping of Layer-by-Layer Hydrogen Etching and Passivation of SiC(0001) Substrates. The journal of physical chemistry. C, Nanomaterials and Interfaces, vol.120, no.19, 10361-10367.

상세보기
Kojima, Kazutoshi, Kuroda, Satoshi, Okumura, Hajime, Arai, Kazuo. Effect of Additional Silane on In Situ H₂ Etching prior to 4H-SiC Homoepitaxial Growth. Materials science forum, vol.556, 85-88.

상세보기
Borovikov, Valery, Zangwill, Andrew. Step bunching of vicinal6H-SiC{0001}surfaces. Physical review. B, Condensed matter and materials physics, vol.79, no.24, 245413-.

상세보기
Longo, R. C., Owen, J. H. G., McDonnell, S., Ballard, J. B., Wallace, R. M., Randall, J. N., Chabal, Y. J., Cho, K.. Ab Initio Study of H₂ Associative Desorption on Ad-Dimer Reconstructed Si(001) and Ge(001)-(2×1) Surfaces. The journal of physical chemistry. C, Nanomaterials and Interfaces, vol.118, no.19, 10088-10096.

상세보기
Cavallotti, Carlo. Reactivity of Silicon Surfaces in the Presence of Adsorbed Hydrogen and Chlorine. Chemical vapor deposition : CVD, vol.16, no.10, 329-335.

상세보기
Brenig, W., Pehlke, E.. Reaction dynamics of H₂ on Si. Ab initio supported model calculations. Progress in surface science, vol.83, no.5, 263-336.

상세보기
Dürr, M., Höfer, U.. Dissociative adsorption of molecular hydrogen on silicon surfaces. Surface science reports, vol.61, no.12, 465-526.

상세보기
Peng, Xiangyang, Krüger, Peter, Pollmann, Johannes. Adsorption processes of hydrogen molecules on SiC(001), Si(001) and C(001) surfaces. New journal of physics, vol.10, no.12, 125028-.

상세보기
Kunioshi, N., Anzai, K., Ushijima, H., Fuwa, A.. Effects of cluster size on calculation of activation energies of silicon surface reactions with H₂ and HCl. Journal of crystal growth, vol.418, 115-119.

상세보기
Pollmann, J., Peng, X., Wieferink, J., Kruger, P.. Adsorption of hydrogen and hydrocarbon molecules on SiC(001). Surface science reports, vol.69, no.2, 55-104.

상세보기
Derycke, V., Fonteneau, P., Pham, N. P., Soukiassian, P.. Molecular-hydrogen interaction with β-SiC(100)3×2 andc(4×2) surfaces and with Si atomic lines. Physical review. B, Condensed matter and materials physics, vol.63, no.20, 201305-.

상세보기
Trabada, Daniel G., Flores, Fernando, Ortega, José. Hydrogenation of semiconductor surfaces: Si-terminated cubic SiC(100) surfaces. Physical review. B, Condensed matter and materials physics, vol.80, no.7, 075307-.

상세보기
Deák, Peter, Aradi, Bálint, Knaup, Jan M., Frauenheim, Thomas. Hydrogen adsorption and etching on the Si-rich 3C-SiC(001)3×2surface: First-principles molecular dynamics calculations. Physical review. B, Condensed matter and materials physics, vol.79, no.8, 085314-.

상세보기
Wachowicz, Elwira, Kiejna, Adam. Structure and energetics changes during hydrogenation of 4H-SiC{0001} surfaces: a DFT study. Journal of physics, an Institute of Physics journal. Condensed matter, vol.24, no.38, 385801-.

상세보기
Seyller, Thomas. Passivation of hexagonal SiC surfaces by hydrogen termination. Journal of physics, an Institute of Physics journal. Condensed matter, vol.16, no.17, S1755-S1782.

상세보기
Olander, J., Larsson, K.M.E.. An ab initio study of 4H–SiC(0001) and (0001̄) surface processes at experimental temperatures. Thin solid films, vol.458, no.1, 191-196.

상세보기
Becke, Axel D.. Density-functional thermochemistry. III. The role of exact exchange. The Journal of chemical physics, vol.98, no.7, 5648-5652.

상세보기
Lee, Chengteh, Yang, Weitao, Parr, Robert G.. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Physical review. B, Condensed matter, vol.37, no.2, 785-789.

상세보기
Methods of Electronic Structure Theory Dunning T. H. 1 1977
Wadt, Willard R., Hay, P. Jeffrey. Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi. The Journal of chemical physics, vol.82, no.1, 284-298.

상세보기
Grimme, Stefan, Antony, Jens, Ehrlich, Stephan, Krieg, Helge. A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. The Journal of chemical physics, vol.132, no.15, 154104-.

상세보기
Zhao, Yan, Truhlar, Donald G.. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theoretical chemistry accounts, vol.120, no.1, 215-241.

상세보기
Dunning Jr., Thom H.. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. The Journal of chemical physics, vol.90, no.2, 1007-1023.

상세보기
Gaussian 09 Frisch M. J. 2009
Statistical Mechanics McQuarrie D. A. 2000
Reuter, Karsten, Scheffler, Matthias. First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation atRuO2(110). Physical review. B, Condensed matter and materials physics, vol.73, no.4, 045433-.

상세보기
Ghoshtagore, R.N.. Decomposition of single crystal silicon carbide. Solid-state electronics, vol.9, no.2, 178-180.

상세보기

내보내기 구분	파일저장 인쇄 메일전송
구성항목	기본정보 상세정보 관리번호, 논문명, 저널/프로시딩명, 저자 , 발행년, 권, 호, 시작페이지, 끝페이지, 발행기관 관리번호, 논문명, 대등논문명, 저자 , 저널/프로시딩명, 발행기관, 발행년, 발행언어, 권, 호, 시작페이지, 끝페이지, ISBN, ISSN, 주제분야, 키워드, 초록(한글), 초록(영문), 저자(소속기관)
저장형식	Text(ASCII format) Excel format RefWorks Direct Export RIS format (for Reference Manager, ProCite, EndNote), Scholar's Aids, Mendeley
메일정보	받는사람 (필수) @ 보내는사람 (선택) @ 제목 내용 KISTI 검색결과 이메일 서비스
안내	총 건의 자료가 검색되었습니다. 다운받으실 자료의 인덱스를 입력하세요. (1-10,000) 검색결과의 순서대로 최대 10,000건 까지 다운로드가 가능합니다. 데이타가 많을 경우 속도가 느려질 수 있습니다.(최대 2~3분 소요) 다운로드 파일은 UTF-8 형태로 저장됩니다. 파일의 내용이 제대로 보이지 않을실 때는 웹브라우저 상단의 보기 -> 인코딩 -> 자동선택 여부를 확인하십시오. ~ Text(ASCII format) Excel format

연합인증

Growth Mechanism of SiC CVD: Surface Etching by H2, H Atoms, and HCl 원문보기

Abstract ▼ AI-Helper

참고문헌 (35)

이 논문을 인용한 문헌

관련 콘텐츠

원문 보기

원문 URL 링크

오픈액세스(OA) 유형

이 논문과 함께 이용한 콘텐츠

AI-Helper ※ AI-Helper는 오픈소스 모델을 사용합니다.

선택된 텍스트