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Stable Anisotropic Single-Layer Of Rete$_2$: A First Principles Prediction, Mehmet Yağmurcukardeş
Stable Anisotropic Single-Layer Of Rete$_2$: A First Principles Prediction, Mehmet Yağmurcukardeş
Turkish Journal of Physics
In order to investigate the structural, vibrational, electronic, and mechanical features of single-layer ReTe$_2$ first-principles calculations are performed. Dynamical stability analyses reveal that single-layer ReTe$_2$ crystallize in a distorted phase while its 1H and 1T phases are dynamically unstable. Raman spectrum calculations show that single-layer distorted phase of ReTe$_2$ exhibits 18 Raman peaks similar to those of ReS$_2$ and ReSe$_2$. Electronically, single-layer ReTe$_2$ is shown to be an indirect gap semiconductor with a suitable band gap for optoelectronic applications. In addition, it is found that the formation of Re-units in the crystal induces anisotropic mechanical parameters. The in-plane stiffness and …