ZHANG Qiaoxin

(Wuhan University of Technology)

Abstract: According to solid and molecular experience electron theory , the quantitative analysis of valence electron structure of TiB₂ is conducted .The covalent electron number on each bond in TiB₂ unitcell is calculated by Bond Length Difference method .The result shows that B -B atomic bond is the strongest with valence electron number nA of 0 .56561 and bond energy E of 93 .07kJ·mol^-1 .B -Ti atomic bond is the second strongest bond with valence electron number nA of 0 .20481 and bond energy E of 33 .12kJ·mol^-1 .The mechanical properties of TiB₂ is analyzed relating to nA , nB and distribution structure feature .

Key words: TiB₂ , valence electron structure , properties