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[en] This paper reports the atomic origins of the intrinsic mechanical and thermal properties of the interfaces between niobium and its carbides and silicides explored using both the layer Korringa-Kohn-Rostoker (LKKR) technique and model cluster calculations. The relative stability of an idealized [100] interface is predicted from charge transfer arguments
Source
Daw, M.S. (Sandia National Laboratories, Livermore, CA (United States)); Schluter, M.A. (AT and T Bell Laboratories, Murray Hill, NJ (United States)); 358 p; ISBN 1-55899-082-8; 
; 1990; p. 149-154; Materials Research Society; Pittsburgh, PA (United States); Spring meeting of the Materials Research Society (MRS); San Francisco, CA (United States); 16-21 Apr 1990; CONF-900466--; Materials Research Society, 9800 McKnight Rd., Suite 327, Pittsburgh, PA 15237 (USA)
; 1990; p. 149-154; Materials Research Society; Pittsburgh, PA (United States); Spring meeting of the Materials Research Society (MRS); San Francisco, CA (United States); 16-21 Apr 1990; CONF-900466--; Materials Research Society, 9800 McKnight Rd., Suite 327, Pittsburgh, PA 15237 (USA)