Strong anisotropy of Sc₂X₂Se₂ (X = Cl, Br, I) monolayers contributes to high thermoelectric performance

Abstract

As a novel type of anisotropic two-dimensional materials, the thermoelectric (TE) properties of FeOCl-type monolayers have received extensive attention, such as Al2X2Se2 (X = Cl, Br, I), Sc2I2S2, and Ir2Cl2O2....

Four-Phonon Enhanced the Thermoelectric Properties of ScSX (X = Cl, Br, and I) Monolayers

“…are potential candidates for TE applications owing to their considerably high electronic fitness function values . Several subsequent studies have demonstrated that Al 2 X 2 Se 2 (X = Cl, Br, and I), Sc 2 X 2 Se 2 (X = Cl, Br, and I), and TiNX (X = F, Cl, and Br) monolayers are excellent TE materials. Moreover, the ScSI monolayer has been successfully exfoliated for the first time and is predicted to be an excellent n-type TE material with anisotropic properties based on third-order force constants. , Although ScSX (X = Cl, Br, and I) monolayers have been extensively researched and show promise for nanotechnology applications, their TE properties have not been well established.…”

Simulations of Anisotropic Monolayer GaSCl for p-Type Sub-10 nm High-Performance and Low-Power FETs

“…The monolayer FeOCl-type materials have attracted great attention because of their unique anisotropic structures. − For example, ABX (AIn, Al, Sc, Ti, Zr, and Hf; BS, Se, and N; XF, Cl, Br, and I) shows excellent thermoelectric and photoelectric properties. − The GaSCl crystal was first reported to have been synthesized in 1963 . And 2D GaSCl has been predicted to have strong p-type anisotropy and a small hole-effective mass. , This unique anisotropic structure not only affects the thermoelectric and photoelectric properties of materials but also has a positive effect on their electronic transport properties .…”