Investigation of the physical characteristics of Bi4Ti3O12, Bi2Ti4O11, Bi12TiO20, Bi2Ti2O7 ternary semiconductors

被引：5

作者：

Geng, Yunshuang ^{[1
]}

Zhang, Xudong ^{[1
]}

Wang, Feng ^{[2
]}

机构：

[1] Shenyang Univ Technol, Sch Sci, Shenyang 110870, Peoples R China

[2] Shenyang Univ Technol, Sch Mat Sci & Engn, Shenyang 110870, Peoples R China

来源：

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING | 2024年 / 181卷

关键词：

Bismuth-based semiconductor; Elastic performance; Density of states; Thermal conductivity; ELECTRONIC-PROPERTIES; OPTICAL-PROPERTIES; BISMUTH TITANATE; FILMS; STABILITY;

D O I：

10.1016/j.mssp.2024.108658

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The mechanical, thermodynamics, electronic, optical properties of Bi4Ti3O12, Bi2Ti4O11, Bi12TiO20 and Bi2Ti2O7 ternary semiconductor materials were calculated and analyzed using first-principles calculations. The structural optimizations demonstrate that four ternary semiconductors are structurally stable. The mechanical parameters of Bi2Ti2O7 exhibit the highest resistance to deformation and average bonding strength, while Bi2Ti4O11 demonstrates the high shear deformation resistance. The Debye temperatures for these bismuth titanate semiconductors are in the following order: Bi2Ti4O11>Bi2Ti2O7>Bi4Ti3O12>Bi12TiO20. Both Bi12TiO20 and Bi2Ti2O7 exhibit high light absorption energies within specific ranges. Through the computational analysis presented in this paper, the theoretical data of bismuth-based semiconductors are enriched for further experimental investigations.

引用

页数：13

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