Ab initio ELNES/XANES spectral calculation of polar and non-polar grain boundaries in β-SiC

Acta Materialia

Volumn 52, Issue 10, 2004, Pages 3009-3018

  Rulis, Paul ^a   Ching, W Y ^a   Kohyama, Masanori ^b  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Ab initio electron theory; EELS; Grain boundary; SiC; Spectral calculation

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; DOPING (ADDITIVES); ELECTRON ENERGY LOSS SPECTROSCOPY; GRAIN BOUNDARIES; INTERFACES (MATERIALS); MATHEMATICAL MODELS; MICROSTRUCTURE; OPTOELECTRONIC DEVICES; SILICON CARBIDE; TENSILE STRENGTH;

AB INITIO ELECTRON THEORY; HIGH PERFORMANCE STRUCTURAL CERAMICS; HIGH RESOLUTION TRANSMISSION ELECTRON MICROSCOPY (HRTEM); LOCAL DENSITY OF STATES (LDOS); SPECTRAL THEORY;

MATERIALS SCIENCE;

EID: 2642525304     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2004.03.003     Document Type: Article

References (26)

1. Sutton A.P., Balluffi R.W. Interfaces in crystalline materials. 1995;Clarenden Press, Oxford UK.
2. Grain Boundary Engineering in Ceramics (Ceramic Transactions, vol. 118, American Ceramic Society). In: Sakuma T, Sheppard LM, Ikuhara Y, editors. Proceedings of the Workshop on JFCC2000, Negoya, Japan; 2000.
3. Tanaka K, Kohyama M. in [2]. 2000;231-238.
4. Tanaka K., Kohyama M. J. Electron Microsc. 51(Suppl.):2002;s265.
5. Tanaka K., Kohyama M. Phil. Mag. A. 82:2002;215.
6. Kohyama M. Phil. Mag. Lett. 79:1999;659.
7. Kohyama M. Phys. Rev. B. 65:2002;184107.
8. Kohyama M., Tanaka K. Fuyuki T., Sameshima T., Strunk H.P., Werner J.H. Polycrystalline semiconductors VII. 2003;387-392 Scitec Pub. Switzerland.
9. Disko M.M., Spence J.C.H., Sankey O.F., Saldin D. Phys. Rev. B. 33:1986;5642.
10. Lie K., Brydson R., Davock H. Phys. Rev. B. 59:1999;5361 Lie K., HØier R., Brydson R. Phys. Rev. B. 61:2000;1786.
11. Lie K., Brydson R., Davock H. Phys. Rev. B. 59:1999;5361 Lie K., HØier R., Brydson R. Phys. Rev. B. 61:2000;1786.
12. Nyberg M., Luo Y., Triguero L., Petterson L.G.M., Agren H. Phys. Rev. B. 60:1999;7956.
13. Mo S.-D., Ching W.Y. Phys. Rev. B. 62:2000;7901-7907.
14. Mo S.-D., Ching W.Y. Appl. Phys. Lett. 78(15):2001;3809-3811.
15. Tanaka I., Mizoguchi T., Sekine T., He H., Kimoto K., Mo S.-D., et al. Appl. Phys. Lett. 78(15):2001;2134-2136.
16. Ching W.Y., Mo S.-D., Chen Yu. J. Am. Ceram. Soc. 85(1):2002;11-15.
17. Xu Y.-N., Mo S.-D., Chen Yu., Ching W.Y. Phys. Rev. B. 65:2002;235105/1-235105/4.
18. Chen Yu., Mo S.-D., Kohyama M., Kohno H., Takeda S., Ching W.Y. Mater. Trans. 43(7):2002;1430-1434.
19. Tanaka I., Mizuguchi T., Matsui M., Yoshioka S., Adachi H., Yamamoto T., et al. Nat. Mater. 2(8):2003;5xx.
20. Ching W.Y. J. Am. Ceram. Soc. 73:1990;3135.
21. Mulliken R.S. J. Am. Chem. Soc. 23:1955;1833 J. Am. Chem. Soc. 23:1955;1841.
22. Mulliken R.S. J. Am. Chem. Soc. 23:1955;1833 J. Am. Chem. Soc. 23:1955;1841.
23. Batson P. Phys. Rev. B. 61:2000;16633.
24. Blumenau A.T., Fall C.J., Jones R., Heggie M.I., Briddon P.R., Frauenheim T., et al. J. Phys. Solid State Phys. 14:2002;12741.
25. Ishimaru M., Bae I.-T., Hirotsu Y., Matsumura S., Sickafus K. Phys. Rev. Lett. 89:2002;55502.
26. Muto S., Tanabe T. J. Appl. Phys. 93:2003;3765.