Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T and 1T/2H heterostructure

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

  • Bohayra Mortazavi
  • Golibjon R. Berdiyorov
  • Meysam Makaremi
  • Timon Rabczuk

Externe Organisationen

  • Bauhaus-Universität Weimar
  • Qatar Environment and Energy Research Institute
  • University of Toronto
  • Tongji University
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Details

OriginalspracheEnglisch
Seiten (von - bis)65-72
Seitenumfang8
FachzeitschriftExtreme Mechanics Letters
Jahrgang20
Frühes Online-Datum31 Jan. 2018
PublikationsstatusVeröffentlicht - Apr. 2018
Extern publiziertJa

Abstract

Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D atomic lattices of 2H, 1T and 1T, with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1T) few-layer MoTe2 heterostructures were experimentally synthesized, highly promising to build circuit components for next generation nanoelectronics. Motivated by the recent experimental advances, we conducted first-principles calculations to explore the mechanical properties of single-layer MoTe2 structures. We first studied the mechanical responses of pristine and single-layer 2H-, 1T- and 1T-MoTe2. In these cases we particularly analyzed the possibility of engineering of the electronic properties of these attractive 2D structures using the biaxial or uniaxial tensile loadings. Finally, the mechanical-failure responses of 1T/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.

ASJC Scopus Sachgebiete

Zitieren

Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T and 1T/2H heterostructure. / Mortazavi, Bohayra; Berdiyorov, Golibjon R.; Makaremi, Meysam et al.
in: Extreme Mechanics Letters, Jahrgang 20, 04.2018, S. 65-72.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Mortazavi, B, Berdiyorov, GR, Makaremi, M & Rabczuk, T 2018, 'Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T and 1T/2H heterostructure', Extreme Mechanics Letters, Jg. 20, S. 65-72. https://doi.org/10.1016/j.eml.2018.01.005
Mortazavi, B., Berdiyorov, G. R., Makaremi, M., & Rabczuk, T. (2018). Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T and 1T/2H heterostructure. Extreme Mechanics Letters, 20, 65-72. https://doi.org/10.1016/j.eml.2018.01.005
Mortazavi B, Berdiyorov GR, Makaremi M, Rabczuk T. Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T and 1T/2H heterostructure. Extreme Mechanics Letters. 2018 Apr;20:65-72. Epub 2018 Jan 31. doi: 10.1016/j.eml.2018.01.005
Mortazavi, Bohayra ; Berdiyorov, Golibjon R. ; Makaremi, Meysam et al. / Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T and 1T/2H heterostructure. in: Extreme Mechanics Letters. 2018 ; Jahrgang 20. S. 65-72.
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Download

TY - JOUR

T1 - Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure

AU - Mortazavi, Bohayra

AU - Berdiyorov, Golibjon R.

AU - Makaremi, Meysam

AU - Rabczuk, Timon

N1 - Funding information: B. M. and T. R. greatly acknowledge the financial support by European Research Council for COMBAT project (Grant number 615132 ).

PY - 2018/4

Y1 - 2018/4

N2 - Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D atomic lattices of 2H, 1T and 1T′, with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1T′) few-layer MoTe2 heterostructures were experimentally synthesized, highly promising to build circuit components for next generation nanoelectronics. Motivated by the recent experimental advances, we conducted first-principles calculations to explore the mechanical properties of single-layer MoTe2 structures. We first studied the mechanical responses of pristine and single-layer 2H-, 1T- and 1T′-MoTe2. In these cases we particularly analyzed the possibility of engineering of the electronic properties of these attractive 2D structures using the biaxial or uniaxial tensile loadings. Finally, the mechanical-failure responses of 1T′/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.

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KW - 2D materials

KW - First-principles modeling

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