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- Title
CrI<sub>3</sub> monolayer: magnetic and electronic behaviors under biaxial strain and external electric field—a first principle study.
- Authors
Safi, A. L.; Ahmed, Md. A.
- Abstract
We have studied the magnetic and electronic behaviors of CrI3 monolayer under biaxial strain and external electric field using first principle calculation. A magnetic phase transition from ferromagnetic to antiferromagnetic state has been observed under a compressing strain of − 6%. The observed influence of biaxial strain on magnetic anisotropy energy is also surprising. Under zero strain it is as high as 0.74 meV/Cr and increases rapidly with compressing strain reaching a value of 1.53 meV/Cr under a compressing strain of − 6%. Moreover, we observe a switching of magnetic easy axis from off-plane to in-plane direction under a tensile strain of 9%. In addition, the bandgap for spin-up ( E g up) from − 10% compressing strain to 10% tensile strain at first increases slowly and exhibits a maximum (~ 0.60 eV) for zero strain. Then it gradually reduces to ~ 0.42 eV for 10% tensile strain. However, the bandgap for spin-down ( E g down) increases monotonically within the entire range and reaches maximum (~ 2.02 eV) for 10% tensile strain. On the other hand, external electric field applied along the off-plane direction (i.e., along c direction) induces significant variations in electronic as well as magnetic (especially MAE) behaviors of CrI3 monolayer.
- Subjects
ELECTRIC fields; MAGNETIC transitions; MAGNETIC control; MONOMOLECULAR films; MAGNETIC traps; PHASE transitions
- Publication
European Physical Journal B: Condensed Matter, 2022, Vol 95, Issue 3, p1
- ISSN
1434-6028
- Publication type
Article
- DOI
10.1140/epjb/s10051-022-00314-z