The spontaneous polarization of In-doped κ-Ga2O3 by first-principles calculation
Source abstract
Abstract
The crystal structure, band structure, density of states, and optical properties of κ-(Ga1−xInx)2O3 (x = 0, 0.125, 0.25, 0.5) were studied using the first-principles calculation based on the density functional theory. With the increase of In content x, the bandgap of κ-(Ga1−xInx)2O3 decreases, while the light absorption coefficient increases. The spontaneous polarization of κ-(Ga1−xInx)2O3 was calculated qualitatively using the Born effective charge. The results suggested that κ-(Ga1−xInx)2O3 is also a material with spontaneous polarization properties. The spontaneous polarization in the extended c-axis has increased 1.27 times, from 27.31 to 34.58 μC/cm2, with the increase of In content from 0 to 0.5. This work paves the way for modulating spontaneous polarization of wide bandgap semiconductors. It provides a theoretical basis for the potential application of κ-(Ga1−xInx)2O3 in high electron mobility transistors, quantum well-infrared photodetectors, and photovoltaic materials.
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Research context
OpenAlex topics: Ga2O3 and related materials · ZnO doping and properties · Advanced Photocatalysis Techniques
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Guangxi Key Laboratory of Precision Navigation Technology and Application, Guilin University of Electronic Technology 1 , Guilin 541004, China
Center for Optoelectronics Materials and Devices & Key Laboratory of Optical Field Manipulation of Zhejiang Province, Department of Physics, Zhejiang Sci-Tech University 2 , Hangzhou 310018, China
College of Electronic and Information Engineering, Shandong University of Science and Technology 3 , Qingdao 266590, China
Funding
Natural Science Foundation of Guangxi Province · National Natural Science Foundation of China · Scientific Research and Technology Development Program of Guangxi · Guangxi Key Laboratory of Precision Navigation Technology and Application · One Hundred Person Project of Guangxi as well as the Thousands of Key Teacher Training Projects of GED · Innovation Project of GUET Graduate Education · Innovation and entrepreneurship training program for college students in Guangxi
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