[We-P] 2D materials

[We-P-30] Tailoring the Optoelectronic and Magnetic Properties of Monolayer MoS₂ through Systematic Alloying

〇Maciej Szyszko¹, Tomasz Woźniak², Magdalena Birowska¹ (1. Inst. of Theoretical Physics, Faculty of Physics, Univ. of Warsaw (Poland), 2. Inst. of Theoretical Physics, Wrocław Univ. of Sci. and Tech. (Poland))

This DFT study investigates monolayer MoS₂ alloying, using W for isovalent band-gap tuning and Mn for magnetic functionality. By combining symmetry analysis with Monte-Carlo simulations, the researchers demonstrate precise control over optoelectronic properties and valley-splitting, providing a framework for designing tunable 2D devices.