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Electronic, optical, and mechanical properties of Cu_2ZnSnS_4 with four crystal structures

Journal of Semiconductors 2015年第8期36卷 48-60页

作者：赵宗彦赵响 Faculty of Materials Science and Engineering Key Laboratory of Advanced Materials of Yunnan Province Kunming University of Science and Technology

The structural, electronic, optical, and mechanical properties of Cu2ZnSnS4 with four crystal structures are calculated using the density functional theory. No significant difference is observed between the calculated optical and mechanical properties of the considered four crystal structures. The calculated results are in agree- ment with available reported experimental data. According to the calculated results, the fundamental band gap of Cu2ZnSnS4 is mainly determined by the bandwidth of the isolated conduction band. The effective-mass of carriers of Cu2ZnSnS4 are very small, especially the effective-mass of electrons on the bottom of the conduction band of zincblende-derived Cu2ZnSnS4. Using the calculated elastic constants matrix, the Born stability criteria is shown to be satisfied, and the high B/G ratio indicates that Cu2ZnSnS4 is prone to ductile behavior.

关键词： Cu2ZnSnS4 DFT calculations electronic structure optical properties mechanic properties

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Study on Organization and properties of the new wear-resistant steel

Study on Organization and Properties of the new wear-resista...

引用

第六届材料与热加工物理模拟及数值模拟国际会议

作者： LI Ningbo 1 a XIE Jingpei 1 b WANG Wenyan 1 c(1 Materials Science and Engineering School of Henan University of Science and Technology Luoyang 471003 China)

By means of wear analysis of the wear-resistant steel used in the process,and adjust the wear-resistant steel composition,by adding alloying elements Cr,Mo and so on,optinlizing heat treatment technique,to get new wear-resistant steel.The HR-150A rock well hardness tester and JB-300B impact tester as well as SHIMADZUAG-I250KV on electronic tensile testing machine were used to test the mechanical properties of materials.In the test of friction and wear performance was done using the high temperature and high-speed friction of wear-testing maching（MMS-1G）,and analysis of microscopy and the wear morphology by JSM-5610LV SEM.The results showed that:The hardness of new wear-resistant steel reaches HRC53,the impact toughness 23J/cm 2,And at this moment,the sample matrix is the microstructure of small lath martensite and residual austenite.

关键词： new wear-resistant steel mechanic properties friction wear

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