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• W2969243559 abstract "This study presents the electronic, mechanical, thermal, vibrational and optical properties of the MoO2 monolayer under the effect of biaxial and uniaxial compressive/tensile strain, using first-principles calculations based on density functional theory. It has been found that the mechanical strength of MoO2 is higher than other MoX2 (X = S, Se, Te) monolayers. Dynamical stability analysis shows that MoO2 is stable up to 6% compressive and at least 8% tensile strain. Strain dependent Raman modes are investigated along the biaxial directions. It was obtained that phonon softening and hardening occurred under tensile and compressive strain owing to the increase and decrease of the bond lengths of the MoO2 structure. Our results also imply that the electronic band structure of the MoO2 monolayer can be tuned with strain and the energy bandgap decreases with increasing biaxial tensile strain up to 4%. For larger values of strain, a semiconductor to semimetal transition is observed; however, this kind of transition is not observed for uniaxial tensile strain. Besides, we report that MoO2 has a negative thermal expansion coefficient (TEC) in the range of extremely low-temperatures (0 K to 33 K) similar to other 2D MoX2 monolayers. For temperatures above 600 K, it possesses a positive TEC with an approximate maximum value of 12 × 10-6 K-1. We carried out optical property calculations by solving the Bethe-Salpeter equation and found that the MoO2 monolayer has two strongly bound excitons below the quasiparticle absorption edge. Overall, our results shed light on experimental studies and suggest that the MoO2 monolayer should be an excellent candidate for new design layered semiconductors, electronics, and optoelectronic devices." @default.
• W2969243559 created "2019-08-29" @default.
• W2969243559 creator A5046063339 @default.
• W2969243559 creator A5090766307 @default.
• W2969243559 date "2019-01-01" @default.
• W2969243559 modified "2023-10-18" @default.
• W2969243559 title "Monitoring the electronic, thermal and optical properties of two-dimensional MoO₂ under strain <i>via</i> vibrational spectroscopies: a first-principles investigation" @default.
• W2969243559 cites W1602127108 @default.
• W2969243559 cites W1868638423 @default.
• W2969243559 cites W1940012192 @default.
• W2969243559 cites W1945200104 @default.
• W2969243559 cites W1970127494 @default.
• W2969243559 cites W1973315818 @default.
• W2969243559 cites W1974551342 @default.
• W2969243559 cites W1979544533 @default.
• W2969243559 cites W1981368803 @default.
• W2969243559 cites W1992322736 @default.
• W2969243559 cites W2001415936 @default.
• W2969243559 cites W2005371316 @default.
• W2969243559 cites W2007395042 @default.
• W2969243559 cites W2011327487 @default.
• W2969243559 cites W2014583167 @default.
• W2969243559 cites W2021149995 @default.
• W2969243559 cites W2024046694 @default.
• W2969243559 cites W2029204743 @default.
• W2969243559 cites W2033460211 @default.
• W2969243559 cites W2036113194 @default.
• W2969243559 cites W2040077883 @default.
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• W2969243559 cites W2045967201 @default.
• W2969243559 cites W2050196121 @default.
• W2969243559 cites W2060315855 @default.
• W2969243559 cites W2067492476 @default.
• W2969243559 cites W2069922598 @default.
• W2969243559 cites W2070056495 @default.
• W2969243559 cites W2075630371 @default.
• W2969243559 cites W2076727790 @default.
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• W2969243559 cites W2084266909 @default.
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• W2969243559 cites W2087017132 @default.
• W2969243559 cites W2091360621 @default.
• W2969243559 cites W2115786064 @default.
• W2969243559 cites W2216572023 @default.
• W2969243559 cites W2234405409 @default.
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• W2969243559 cites W2268478421 @default.
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• W2969243559 cites W2316151587 @default.
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• W2969243559 cites W2597054437 @default.
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• W2969243559 doi "https://doi.org/10.1039/c9cp04183d" @default.
• W2969243559 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31475268" @default.
• W2969243559 hasPublicationYear "2019" @default.
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