Prediction of Rashba Effect on Two-dimensional MX Monochalcogenides (M = Ge, Sn and X = S, Se, Te) with Buckled Square Lattice

Ibnu Jihad (Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara BLS 21, Yogyakarta 55281, Indonesia)
Juhri Hendrawan (Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara BLS 21, Yogyakarta 55281, Indonesia)
Adam Sukma Putra (Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara BLS 21, Yogyakarta 55281, Indonesia)
Kuwat Triyana (Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara BLS 21, Yogyakarta 55281, Indonesia)
Moh. Adhib Ulil Absor (Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara BLS 21, Yogyakarta 55281, Indonesia)

Indonesian Journal of Chemistry
Vol 20, No 3 (2020)

The Rashba splitting are found in the buckled square lattice. Here, by applying fully relativistic density-functional theory (DFT) calculation, we confirm the existence of the Rashba splitting in the conduction band minimum of various two-dimensional MX monochalcogenides (M = Ge, Sn and X = S, Se, Te) exhibiting a pair inplane Rashba rotation of the spin textures. A strong correlation has also been found between the size of the Rashba parameter and the atomic number of chalcogen atom for Γ and M point in the first Brillouin zone. Our investigation clarifies that the buckled square lattice are promising for inducing the substantial Rashba splitting suggesting that the present system is promising for spintronics device.