We applied the generalized Bloch theorem to verify the ground state (most stable state) in
monolayer metal diiodides 1T-XI 2 (X: Fe, Co, and Ni), a family of metal dihalides, using the …

Room-temperature sodium–sulfur (Na–S) batteries hold great potential for next-generation
energy storage devices due to their high theoretical energy density and low cost. However …

We examined the tunable magnetism of nickel dibromide 1T-NiBr 2 monolayer by adjusting
hole− electron doping and electric field. To include the ferromagnetic, antiferromagnetic, and …

We implemented the density functional theory to study the effect of strain on the optical
conductivity in 1T monolayer FeCl 2 within the collinear structure. The computational …

The 2D materials with both ferromagnetism and semiconducting properties are desirable for
spintronics applications. Here, inspired by the successful synthesis of single‐layer CoCl 2 …

We investigated the effect of LDA+U on the band dispersions in 1T monolayer FeCl 2 and
CoCl 2 within the self-consistent noncollinear calculation. As shown in the band dispersed …

The electronic properties of FeCl2 monolayer were inspected by using the LDA+ U
approach and including the spin-orbit interaction. By observing the band dispersion, it was …

Some magnetic configurations utilized the Seebeck coefficient in the NiBr 2 monolayer. To
create some magnetic configurations, the magnetic moments of the Ni atoms were arranged …

Employing the electric field has been performed to investigate the magnetic ground state in
a single-layer iron dichloride (FeCl 2). We provided some lattice parameters to see the …

We introduced the Coulomb repulsion to carry out non-collinear density functional theory to
explore the thermal electric conductivity in the in-plane ferromagnetic single layer NiCl2. The …