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《Acta Metallurgica Sinica》 1984-04
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AN ANALYSIS OF VALENCE ELECTRON STRUCTURE OF Fe-C MARTENSITE

ZHANG Ruilin; YU Ruihuang (S. H. Yü) (Department of Physics, Jilin University, Changchun) (Manuscript received 27 May, 1983)  
Based on the BLD method of the empirical electron theory of solids and molecules, the valence electron structure of Fe-C martensite was established. Each carbon atom making fractional covalent bonds with its 1st, 2nd and 3rd Fe neighbours forms a small cell to be called carbon involved unit. And the corresponding small cell of Fe atoms containing no carbon to be called no carbon unit. The martensite crystal structure is built upon by these two types of units. They distribute randomly in the martensite crystal. For the 1.7 wt-% C martensite, the result shows: in the carbon involved units, there are three kinds of Fe atoms, Fe_Ⅰ, Fe_(Ⅱ) and Fe_(Ⅲ), on the 11th, 10th and 8th hybrid levels of A-type hybridization states of Fe respectively, and carbon atom is on its 6th hybrid level; in the no carbon units, the Fe is on the 8th level of A-type. In the carbon involved units, n_A=0.9991 and n_B=0.8479, and in the no carbon units, n_A and n_B have the same values as in α-Fe. The relative number of the two kinds of units changes with the content of carbon. Comparison of the values of n_A and n_B in the two kinds of units immediately shows that the hardness of martensite must increase with the content of carbon. This agrees with the experimental fact.
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