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5. Large-scale modeling of electronic structure, optical properties and densification process of a larg

Large-scale modeling of electronic structure, optical properties and densification process of a larg

来源 :The 24th International Conference on Glass( ICG Congress 201 | 被引量 : 0次 | 上传用户：JACK910680

【摘 要】

：

The electronic structure, network bonding, optical excitation, electron localization, elastic constants and mechanical properties of a larger continuous random network (CRN) model of amorphous SiO2, G

【作 者】

：

Neng L Xiujian Zhao Benjamin Walker Wai-Yim Ching 

【机 构】

：

State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, 122 Lu

【出 处】

：

The 24th International Conference on Glass( ICG Congress 201

【发表日期】

：

2016年11期

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论文部分内容阅读

The electronic structure, network bonding, optical excitation, electron localization, elastic constants and mechanical properties of a larger continuous random network (CRN) model of amorphous SiO2, GeO2, GaO2,and ZrO2 with 1296 atoms were studied by first principles methods.

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