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.
| Original language | English |
|---|---|
| Pages (from-to) | 65-72 |
| Number of pages | 8 |
| Journal | Extreme Mechanics Letters |
| Volume | 20 |
| DOIs | |
| Publication status | Published - 2018 Apr 1 |
| Externally published | Yes |
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Keywords
- 2D materials
- First-principles modeling
- Heterostructure
- Mechanical
- MoTe
ASJC Scopus subject areas
- Bioengineering
- Chemical Engineering (miscellaneous)
- Engineering (miscellaneous)
- Mechanics of Materials
- Mechanical Engineering
Cite this
Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure. / Mortazavi, Bohayra; Berdiyorov, Golibjon R.; Makaremi, Meysam; Rabczuk, Timon.
In: Extreme Mechanics Letters, Vol. 20, 01.04.2018, p. 65-72.Research output: Contribution to journal › Article
}
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
PY - 2018/4/1
Y1 - 2018/4/1
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.
AB - 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.
KW - 2D materials
KW - First-principles modeling
KW - Heterostructure
KW - Mechanical
KW - MoTe
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UR - http://www.scopus.com/inward/citedby.url?scp=85041407479&partnerID=8YFLogxK
U2 - 10.1016/j.eml.2018.01.005
DO - 10.1016/j.eml.2018.01.005
M3 - Article
VL - 20
SP - 65
EP - 72
JO - Extreme Mechanics Letters
JF - Extreme Mechanics Letters
SN - 2352-4316
ER -