Structural, Electronic, Dynamic, and Optical Properties of 2D Monolayer Tungsten Telluride (2H-WTe2) under Small Biaxial Strain Using Density Functional Theory (DFT and DFT + U)
The structural, electronic, vibrational, and optical properties of 2D- 2H-WTe2 monolayer are investigated using density functional theory with respect to a plane wave ultrasoft pseudopotentials (PW-USPPs) in a generalized gradient approximation (GGA) and with the Hubbard potential (GGA + U). The equ...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2023-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2023/3179210 |
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