Numerical Simulation of the Multicomponent Mass Transfer during Bridgman Growth of CdZnTe Crystal Using Maxwell-Stefan Diffusion Model  

作　　者：殷利迎 介万奇 WANG Tao ZHOU Boru YANG Fan 

机构地区：[1]State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi 'an 710072, China [2]Key Laboratory of Radiation Detection Materials and Devices, Ministry of Industry and Information Technology, Northwestern Polytechnical University, Xi'an 710072, China

出　　处：《Journal of Wuhan University of Technology(Materials Science)》2017年第2期349-357,共9页武汉理工大学学报（材料科学英文版）

基　　金：Funded by the National Key R&D Program of China(2016YFB0402405,2016YFF0101301);the Special Fund of National Key Scientific Instruments and Equipments Development(2011YQ040082);the National 973 Project of China(2011CB610400);the 111 Project of China(B08040);the National Natural Science Foundation of China(NNSFC-61274081,51372205,and 51502244);the Fundamental Research Funds for the Central Universities(3102015BJ(II)ZS014,G2016KY0104,3102016ZY011);the Research Fund of the State Key Laboratory of Solidification Processing(NWPU),China

摘　　要：To reveal the complicated mechanism of the multicomponent mass transfer during the growth of ternary compound semiconductors, a numerical model based on Maxwell-Stefan equations was developed to simulate the Bridgman growth of CdZnTe crystal. The Maxwell-Stefan diffusion coefficients in the melt were estimated. Distributions of Zn, Cd, and Te were calculated with variable ampoule traveling rate and diffusion coefficients. The experimental results show that Zn in melt near the growth interface decreases and diffuses from the bulk melt to the growth interface. For Cd, the situation is just the opposite. The coupling effects of Zn and Cd diffusions result in an uphill diffusion of Te at the beginning of the growth. Throughout the growth, the concentration of Te in the melt keeps low near the growth interface but high far from the growth interface. Increasing the ampoule traveling rate will aggravate the segregation of Zn and Cd, and hence deteriorate the uniformity of Te. We also find that not only the diffusion coefficients but also the ratios between them have significant influence on the species diffusions.To reveal the complicated mechanism of the multicomponent mass transfer during the growth of ternary compound semiconductors, a numerical model based on Maxwell-Stefan equations was developed to simulate the Bridgman growth of CdZnTe crystal. The Maxwell-Stefan diffusion coefficients in the melt were estimated. Distributions of Zn, Cd, and Te were calculated with variable ampoule traveling rate and diffusion coefficients. The experimental results show that Zn in melt near the growth interface decreases and diffuses from the bulk melt to the growth interface. For Cd, the situation is just the opposite. The coupling effects of Zn and Cd diffusions result in an uphill diffusion of Te at the beginning of the growth. Throughout the growth, the concentration of Te in the melt keeps low near the growth interface but high far from the growth interface. Increasing the ampoule traveling rate will aggravate the segregation of Zn and Cd, and hence deteriorate the uniformity of Te. We also find that not only the diffusion coefficients but also the ratios between them have significant influence on the species diffusions.

关 键 词：semiconducting ternary compounds CdZnTe crystal growth computer simulation multicomponent mass transfer 

分 类 号：O78[理学—晶体学]