The local structure of transition metal doped semiconducting boron carbides

Authors

Jing Liu, University of Nebraska-Lincoln
Guangfu Luo, University of Nebraska at Omaha
Wai-Ning Mei, University of Nebraska at OmahaFollow
Orhan Kizilkaya, Louisiana State University at Baton RougeFollow
Eric D. Shepherd, University of Nebraska-Lincoln
Jennifer I. Brand, University of Nebraska-LincolnFollow
Peter A. Dowben, University of Nebraska-LincolnFollow

Date of this Version

2010

Comments

Published in J. Phys. D: Appl. Phys. 43 (2010) 085403 (8pp)

Abstract

Transition metal doped boron carbides produced by plasma enhanced chemical vapour deposition of orthocarborane (closo-1,2-C₂B₁₀H₁₂) and 3d metal metallocenes were investigated by performing K-edge extended x-ray absorption fine structure and x-ray absorption near edge structure measurements. The 3d transition metal atom occupies one of the icosahedral boron or carbon atomic sites within the icosahedral cage. Good agreement was obtained between experiment and models for Mn, Fe and Co doping, based on the model structures of two adjoined vertex sharing carborane cages, each containing a transition metal. The local spin configurations of all the 3d transition metal doped boron carbides, Ti through Cu, are compared using cluster and/or icosahedral chain calculations, where the latter have periodic boundary conditions.