Half-metallic to ferromagnetic phase transition in CrSH monolayer using DFT+U and BO-MD calculations

Akkarach Sukserm, Jakkapat Seeyangnok, Udomsilp Pinsook

We present a comprehensive investigation of the structural, electronic, magnetic, and vibrational properties of CrSH monolayers in the 1T and 2H phases using density functional the…