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  • Title: Rashba-type spin splitting and transport properties of novel Janus XWGeN2 (X = O, S, Se, Te) monolayers.
    Author: Vu TV, Phuc HV, Nguyen CV, Vi VTT, Kartamyshev AI, Hieu NN.
    Journal: Phys Chem Chem Phys; 2022 Jul 13; 24(27):16512-16521. PubMed ID: 35781308.
    Abstract:
    We discuss and examine the stability, electronic properties, and transport characteristics of asymmetric monolayers XWGeN2 (X = O, S, Se, Te) using ab initio density functional theory. All four monolayers of quintuple-layer atomic Janus XWGeN2 are predicted to be stable and they are all indirect semiconductors in the ground state. When the spin-orbit coupling (SOC) is included, a large spin splitting at the K point is found in XWGeN2 monolayers, particularly, a giant Rashba-type spin splitting is observed around the Γ point in three structures SWGeN2, SeWGeN2, and TeWGeN2. The Rashba parameters in these structures are directionally isotropic along the high-symmetry directions Γ-K and Γ-M and the Rashba constant αR increases as the X element moves from S to Te. TeWGeN2 has the largest Rashba energy up to 37.4 meV (36.6 meV) in the Γ-K (Γ-M) direction. Via the deformation potential method, we calculate the carrier mobility of all four XWGeN2 monolayers. It is found that the electron mobilities of OWGeN2 and SWGeN2 monolayers exceed 200 cm2 V-1 s-1, which are suitable for applications in nanoelectronic devices.
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