Data for "Study on intrinsic point defects of MnCO3-doped ZnO ceramics based on first principles"
Published: 18 January 2024| Version 1 | DOI: 10.17632/y684wpsz8s.1
Contributor:
Xin WangDescription
The dataset comprises the computed results of formation energy, ZnO lattice structure, energy band characteristics, and electron state density distribution. Zinc interstitials and oxygen vacancies are identified as the primary intrinsic point defects influencing the electrical properties of ZnO varistor ceramics. The data demonstrates that Mn2+ substitution doping can effectively modulate the occurrence of zinc interstitials and oxygen vacancies among intrinsic defects. These findings are consistent with experimental results and enhanced insights into material behavior that MnCO3-doped ZnO ceramics electrical properties is improved.
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Institutions
Xi'an Jiaotong University School of Electrical Engineering, China Southern Power Grid South Electric Power Research Institute, Xi'an Polytechnic University School of Electronics and Information
Categories
Varistor Ceramics, ZnO, Point Defect
Funding
National Natural Science Foundation of China
52007138
Shaanxi Science and Technology Department
2023-YBGY-070