Dislocation structure and mobility in the layered semiconductor InSe: A first-principles study
| العنوان: | Dislocation structure and mobility in the layered semiconductor InSe: A first-principles study |
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| المؤلفون: | Alexander N. Rudenko, Yu. N. Gornostyrev, Mikhail I. Katsnelson |
| المصدر: | 2d Materials, 8, 4, pp. 1-8 2d Materials, 8, 1-8 2D Materials |
| بيانات النشر: | arXiv, 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | SEMICONDUCTING SELENIUM COMPOUNDS, Materials science, Theory of Condensed Matter, MULTI-SCALE APPROACHES, Structure (category theory), FOS: Physical sciences, Electronic structure, Plasticity, SEMICONDUCTORS, Low energy, PARAMETRIZATIONS, FIRST-PRINCIPLES CALCULATIONS, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), MOBILITY OF DISLOCATIONS, General Materials Science, DISLOCATION STRUCTURES, PLASTICITY, DISLOCATIONS, FIRST-PRINCIPLE STUDY, INDIUM COMPOUNDS, Condensed Matter - Materials Science, Condensed matter physics, Condensed Matter - Mesoscale and Nanoscale Physics, business.industry, Mechanical Engineering, Materials Science (cond-mat.mtrl-sci), General Chemistry, Condensed Matter Physics, PEIERLS-NABARRO MODEL, CALCULATIONS, DISLOCATION MOBILITY, Semiconductor, Mechanics of Materials, INSE, DISLOCATION, FIRST PRINCIPLES, Dislocation, business, STACKING FAULTS, Parametrization, FIRST PRINCIPLE CALCULATIONS, Stacking fault |
| الوصف: | The structure and mobility of dislocations in the layered semiconductor InSe is studied within a multiscale approach based on generalized Peierls--Nabarro model with material-specific parametrization derived from first principles. The plasticity of InSe turns out to be attributed to peculiarities of the generalized stacking fault relief for the interlayer dislocation slips such as existence of the stacking fault with a very low energy and low energy barriers. Our results give a consistent microscopic explanation of recently observed [Science {\bf 369}, 542 (2020)] exceptional plasticity of InSe. Comment: 7 pages, 5 figures |
| وصف الملف: | application/pdf |
| تدمد: | 2053-1583 |
| DOI: | 10.48550/arxiv.2107.05014 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e869fcc49237ef4dd33f6e25003557c2 |
| Rights: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....e869fcc49237ef4dd33f6e25003557c2 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 20531583 |
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| DOI: | 10.48550/arxiv.2107.05014 |