journal article·2019-12-05

Hole-Induced Spontaneous Mutual Annihilation of Dislocation Pairs

Yelong Wu, Guangde Chen, Jinying Yu, Dan Wang, Chao Ma, Chen Li, Stephen J. Pennycook, Yanfa Yan, Su-Huai Wei

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Abstract

Dislocations are always observed during crystal growth, and it is usually desirable to reduce the dislocation density in high-quality crystals. Here, the annihilation process of the 30° Shockley partial dislocation pairs in CdTe is studied by first-principles calculations. We found that the dislocations can glide relatively easily due to the weak local bonding. Our systematic study of the slipping mechanism of the dislocations suggests that the energy barrier for the annihilation process is low. Band structure calculations reveal that the band bending caused by the charge transfer between the two dislocation cores depends on the core-core distance. A simple linear model is proposed to describe the mechanism of formation of the dislocation pair. More importantly, we demonstrate that hole injection can affect the core structure, increase the mobility, and eventually trigger a spontaneous mutual annihilation, which could be employed as a possible facile way to reduce the dislocation density.
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Research context

OpenAlex topics: Advanced Semiconductor Detectors and Materials · Chalcogenide Semiconductor Thin Films · Quantum Dots Synthesis And Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Key Laboratory of Nonequilibrium Synthesis and Modulation of Condensed Matter, Xian Jiaotong University, Ministry of Education, Xian, Shaanxi 710049, China

Shaanxi Key Laboratory of Quantum Information and Quantum Optoelectronic Devices, Xian Jiaotong University, Xian, Shaanxi 710049, China

School of Physics, Northwest University, Xian, Shaanxi 710069, China

Electron microscopy for Materials research (EMAT), University Antwerpen, Groenenborgerlaan 171, 2020 Antwerpen, Belgium

Department of Materials Science and Engineering, National University of Singapore, Singapore 117575

Department of Physics and Astronomy, The University of Toledo, Toledo, Ohio 43606, United States

Beijing Computational Science Research Center, Beijing 100193, China

Funding

National Natural Science Foundation of China · Fundamental Research Funds for the Central Universities · National Key Research and Development Program of China

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