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STRUCTURE,CHEMICAL BONDS AND THER MOELECTIC PROPERTY OF Si DOPED BORON CARBIDES

X.M.Min , C.W.Nan and K.F.Cai National Key Laboratory of Advanced Technology for Materials Synthesis and Processing , Wuhan University ofTechnology , Wuhan 430070 , China

金属学报(英文版)

Thecorrelation between composition, structure, chemical bond, and thermoelectric proper tiesof Si doped boroncarbidesisstudied using SCF DV Xαmethod. Thecalculationsshow that Siatom firstlysubstitutes Bor Catomson theend of boron carbidechain, then may occupyinterstitialsites when Siis dopedi...

关键词: Si doped boroncarbide , null , null

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