IMR OpenIR
Composition-Dependent Structural and Electronic Properties of alpha-(Si1-xCx)(3)N-4
Xu, M.2,3,4; Xu, S.5,6; Duan, M. Y.2,3,4; Delanty, M.1,7; Jiang, N.5,6; Li, H. S.5,6; Kwek, L. C.6; Ostrikov, K.1
Corresponding AuthorOstrikov, K.(kostya.ostrikov@csiro.au)
2011-02-10
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume115Issue:5Pages:2448-2453
AbstractThe highly unusual structural and electronic properties of the alpha-phase of (Si1-xCx)(3)N-4 are determined by density functional theory (DFT) calculations using the Generalized Gradient Approximation (GGA). The electronic properties of alpha-(Si1-xCx)(3)N-4 are found to be very close to those of alpha-C3N4. The bandgap of alpha-(Si1-xCx)(3)N-4 significantly decreases as C atoms are substituted by Si atoms (in 2 most cases, smaller than that of either alpha-Si3N4 or alpha-C3N4) and attains a minimum when the ratio of C to Si is close to 2. On the other hand, the bulk modulus of alpha-(Si1-xCx)(3)N-4 is found to be closer to that of alpha-Si3N4 than of alpha-C3N4. Plasma-assisted synthesis experiments of CNx and SiCN films are performed to verify the accuracy of the DFT calculations. TEM measurements confirm the calculated lattice constants, and FT-IR/XPS analysis confirms the formation and lengths of C-N and Si-N bonds. The results of DFT calculations are also in a remarkable agreement with the experiments of other authors.
Funding OrganizationNational Research Foundation of Singapore ; Sichuan Youth Science & Technology Foundation ; SRF for ROCS, SEM, PR China
DOI10.1021/jp110109x
Indexed BySCI
Language英语
Funding ProjectNational Research Foundation of Singapore ; Sichuan Youth Science & Technology Foundation[08ZQ026-025] ; SRF for ROCS, SEM, PR China
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000286868600134
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/103615
Collection中国科学院金属研究所
Corresponding AuthorOstrikov, K.
Affiliation1.CSIRO Mat Sci & Engn, Lindfield, NSW 2070, Australia
2.SW Univ Nationalities, Key Lab Informat Mat Sichuan Prov, Chengdu 610041, Peoples R China
3.SW Univ Nationalities, Sch Elect & Informat Engn, Chengdu 610041, Peoples R China
4.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
5.Nanyang Technol Univ, Plasma Sources & Applicat Ctr, NIE, Singapore 637616, Singapore
6.Nanyang Technol Univ, Inst Adv Studies, Singapore 637616, Singapore
7.Macquarie Univ, Ctr Quantum Informat Sci & Secur, N Ryde, NSW 2109, Australia
Recommended Citation
GB/T 7714
Xu, M.,Xu, S.,Duan, M. Y.,et al. Composition-Dependent Structural and Electronic Properties of alpha-(Si1-xCx)(3)N-4[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(5):2448-2453.
APA Xu, M..,Xu, S..,Duan, M. Y..,Delanty, M..,Jiang, N..,...&Ostrikov, K..(2011).Composition-Dependent Structural and Electronic Properties of alpha-(Si1-xCx)(3)N-4.JOURNAL OF PHYSICAL CHEMISTRY C,115(5),2448-2453.
MLA Xu, M.,et al."Composition-Dependent Structural and Electronic Properties of alpha-(Si1-xCx)(3)N-4".JOURNAL OF PHYSICAL CHEMISTRY C 115.5(2011):2448-2453.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Xu, M.]'s Articles
[Xu, S.]'s Articles
[Duan, M. Y.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Xu, M.]'s Articles
[Xu, S.]'s Articles
[Duan, M. Y.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Xu, M.]'s Articles
[Xu, S.]'s Articles
[Duan, M. Y.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.