Insights on Modulating Electronic and Transport Properties of the Sawtooth-Sawtooth Penta-Sic2 Nanoribbons Under Uniaxial Strain by First Principles Calculations
The electronic and transport properties of sawtooth-sawtooth penta-SiC2 nanoribbons (SS-pSiC2NRs) under uniaxial strain are investigated by using first-principles calculations. Based on the density functional theory in combination with the non-equilibrium Green’s function formalism, we study the electronic structures and the current–voltage (I–V) characteristics of the SS-pSiC2NRs under a sequence of uniaxial strains in range from 10% compression to 10% stretch. Under this strain, the pentagon network of SS-pSiC2NRs is still retained but the length of bonds along the strained direction is large change. The electronic band structure and band gap is strongly affected by the uniaxial compressive strain. The evolution of band gap versus the strain as linear. The I–V characteristic of SS-pSiC2NR seem to be more sensitive to compressive strain than the stretch strain. With the bias voltage of 2V, the current of the 10 % compressed sample increased 75 times, and the current of the 10 % stretched sample increased 2.5 times compared to the one of the relaxed sample. Our calculations may lead to many novel applications of the strained structures in SS-pSiC2NRs-based electromechanical devices
Year of publication: |
[2022]
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Authors: | Tien, Nguyen Thanh ; Van On, Vo ; Thi Bich Thao, Pham ; Nhat Thanh, Le |
Publisher: |
[S.l.] : SSRN |
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