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| ON STRUCTURES,PROPERTIES AND CHEMICAL BOND OF Te-Se-I GLASS AND OF ADDING As,Ge ELEMENTS ONE | |
| 引用本文： | 闵新民,赵修健. ON STRUCTURES,PROPERTIES AND CHEMICAL BOND OF Te-Se-I GLASS AND OF ADDING As,Ge ELEMENTS ONE[J]. 武汉理工大学学报(材料科学英文版), 1996, 0(2) |
| 作者姓名： | 闵新民 赵修健 |
| 作者单位： | Min Xinmin Zhao XiujianResearch Institute for Advanced Materials，Wuhan University of Technology，Wuhan，430070，P. R. China |
| 摘 要： | Te-Se glass and adding As,Ge elements to itare studied with Selt-Consistent-Field Discrete Variatioal X_α(SEF-DV-X_α),one of the molecule orbital calculating meth-ods in quantum chemistry.The chemical bonding is used todiscuss the relations between structures and properties with thevarations of compositions of the glasses.The calculated re-sults show that the strength of covalent and ionic bonds areboth in the order of Ge-Se>As>Se>Te-Se,which is consis-tent with the experimental result of the glass-transition tem-perature(T_g) of the corresponding glasses.The Te-I bond inwhich Ⅰ atom is one-coordinate is sstronger than that in whichⅠ atom is two-coordinate,As-Ⅰ and As-As bonds are bothstronger than the two types of Te-Ⅰ bonds.The waek Te-Ⅰbonds have been replaced by the stronger As-Ⅰ and As-Asbonds,which is just the reason why As addition in TeX glass-es can obviously improve the thermal and chemical properties. |
ON STRUCTURES,PROPERTIES AND CHEMICAL BOND OF Te-Se-I GLASS AND OF ADDING As,Ge ELEMENTS ONE |
|
| Min Xinmin Zhao XiujianResearch Institute for Advanced Materials,Wuhan University of Technology,Wuhan,,P. R. China. ON STRUCTURES,PROPERTIES AND CHEMICAL BOND OF Te-Se-I GLASS AND OF ADDING As,Ge ELEMENTS ONE[J]. Journal of Wuhan University of Technology. Materials Science Edition, 1996, 0(2) | |
| Authors: | Min Xinmin Zhao XiujianResearch Institute for Advanced Materials Wuhan University of Technology Wuhan P. R. China |
| Affiliation: | Min Xinmin Zhao XiujianResearch Institute for Advanced Materials,Wuhan University of Technology,Wuhan,430070,P. R. China |
| Abstract: | Te-Se glass and adding As,Ge elements to it are studied with Selt-Consistent-Field Discrete Variatioal Xa (SEF-DV-Xc) ,one of the molecule orbital calculating meth-ods in quantum chemistry. The chemical bonding is used to discuss the relations between structures and properties with the varations of compositions of the glasses. The calculated re-sults show that the strength of covalent and ionic bonds are both in the order of Ge-Se >As-Se>Te-Se,which is consis-tent with the experimental result of the glass-transition tem-perature(Tg) of the corresponding glasses. The Te-I bond in which I atom is one-coordinate is sstronger than that in which I atom is two-coordinate, As-I and As-As bonds are both stronger than the two types of Te-I bonds. The waek Te-I bonds have been replaced by the stronger As-I and As-As bonds,which is just the reason why As addition in TeX glass-es can obviously improve the thermal and chemical properties. |
| Keywords: | chalcohalide glass structure proper- ty chemical bond |
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