Journal article
Mechanical properties of Bi2Te3 topological insulator investigated by density functional theory and nanoindentation
Scripta materialia, Vol.121, pp.50-55
08/2016
DOI: 10.1016/j.scriptamat.2016.04.036
Abstract
The elastic constants Cij of bulk Bi2Te3 were calculated by density functional theory by different approximations. Computational results were validated by means of nanoindentation tests, performed along the directions parallel and perpendicular to the cleavage plane of Bi2Te3. The indentation modulus was estimated and compared with the experimental one. The generalized gradient Perdew-Burke-Ernzerhof approximation better reproduces experimental results in the direction perpendicular to the cleavage plane, whereas the occurrence of the nanobuckling in the direction parallel to the cleavage plane causes discrepancies between theoretical and experimental findings.
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Details
- Title: Subtitle
- Mechanical properties of Bi2Te3 topological insulator investigated by density functional theory and nanoindentation
- Creators
- C Lamuta - Department of Mechanical, Energy and Management Engineering, University of Calabria, Ponte P. Bucci, Cubo 44C, 87036 Rende, ItalyD Campi - Department of Materials Science, University of Milano-Bicocca, via R. Cozzi 55, I-20125 Milano, ItalyA Cupolillo - Department of Physics, University of Calabria, Ponte P. Bucci, Cubo 31C, 87036 Rende, ItalyZ.S Aliev - Donostia International Physics Center (DIPC), Paseo de Manuel Lardizabal 4, 20018 San Sebastián/Donostia, SpainM.B Babanly - Institute of Catalysis and Inorganic Chemistry, ANAS, AZ1143 Baku, AzerbaijanE.V Chulkov - Donostia International Physics Center (DIPC), Paseo de Manuel Lardizabal 4, 20018 San Sebastián/Donostia, SpainA Politano - Department of Physics, University of Calabria, Ponte P. Bucci, Cubo 31C, 87036 Rende, ItalyL Pagnotta - Department of Mechanical, Energy and Management Engineering, University of Calabria, Ponte P. Bucci, Cubo 44C, 87036 Rende, Italy
- Resource Type
- Journal article
- Publication Details
- Scripta materialia, Vol.121, pp.50-55
- Publisher
- Elsevier Ltd
- DOI
- 10.1016/j.scriptamat.2016.04.036
- ISSN
- 1359-6462
- eISSN
- 1872-8456
- Grant note
- name: University of Basque Country UPV/EHU, award: GIC07-IT-756-13; name: Departamento de Educación del Gobierno Vasco and the Spanish Ministerio de Ciencia e Innovación, award: FIS2010-275 19609-C02-01; name: Tomsk State University Academic D.I. Mendeleev Fund Program, award: 8.1.05.2015; name: Spanish Ministry of Economy and Competitiveness MINECO, award: FIS2013-48286-C2-1-P; DOI: 10.13039/501100004285, name: Saint Petersburg State University, award: 11.50.202.2015
- Language
- English
- Date published
- 08/2016
- Academic Unit
- Mechanical Engineering
- Record Identifier
- 9984064225402771
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