Modulation of electronic and magnetic properties of defective and TM-doped Al₂SSe Janus monolayer (TM = Mn and Fe) through hole and electron doping.

ABSTRACT: Effective manipulation of electronic and magnetic properties plays a key role in designing practical applications of materials. In this work, the magnetism engineering in Al₂SSe monolayers is studied by creating pair Al (pVa) vacancies and doping with a pair of TM transition metals (pTM = Mn and Fe). Further, electronic and magnetic properties are modulated through hole and electron doping. The pristine Al₂SSe monolayer is intrinsically nonmagnetic, exhibiting an indirect gap of 2.04 eV. The creation of pVa-type defects induces half-metallicity, in-plane magnetic anisotropy (IMA), and an overall magnetic moment of 2.00 µ _B. In this case, first neighbor Se atoms and second neighbor Al atoms from defect sites primarily originate the system magnetic mom

SUBMITTER: Thi Han N 

PROVIDER: S-EPMC12716252 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature