Mechanical properties of Bi2Te3 topological insulator investigated by density functional theory and nanoindentation

Lamuta, C.; Campi, D.; Cupolillo, A.; Aliev, Z.S.; Babanlı , Məhəmməd; Chulkov, Evgueni; Politano, A.; Pagnotta, L.

doi:10.1016/j.scriptamat.2016.04.036

Mechanical properties of Bi2Te3 topological insulator investigated by density functional theory and nanoindentation

Lamuta C., Campi D., Cupolillo A., Aliev Z., Babanlı M., Chulkov E., ...daha çox

Scripta Materialia, vol.121, pp.50-55, 2016 (SCI-Expanded, Scopus)

Nəşrin Növü: Article / Article
Cild: 121
Nəşr tarixi: 2016
Doi nömrəsi: 10.1016/j.scriptamat.2016.04.036
jurnalın adı: Scripta Materialia
Jurnalın baxıldığı indekslər: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Səhifə sayı: pp.50-55
Açar sözlər: Density functional theory, Nanoindentation, Thermoelectric materials, Topological insulators, Young's modulus
Açıq Arxiv Kolleksiyası: Məqalə
Adres: Bəli

Qısa məlumat

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.