We present a cyclic and helical symmetry-adapted formulation and large-scale parallel
implementation of real-space Kohn-Sham density functional theory for one-dimensional (1D) …

We investigated the ground state of monolayer 1T-XCl 2 (X: Fe, Co, and Ni) using the
generalized Bloch theorem, which can generate ferromagnetic, spiral, and antiferromagnetic …

We investigated the spiral spin density waves in the monolayer 1T-MnCl2 for a set of spiral
vectors based on first-principles calculations. The magnetic ground states were evaluated by …

We investigated the reduction of the spin stiffness and the appearance of the spiral spin
density waves when the electric field is applied on the zigzag graphene nanoribbons for the …

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 …

The generalized Bloch theorem was applied to calculate the spin stiffness and to consider its
tendencies when introducing the doping in zigzag graphene nanoribbons. To reach the …

We investigated the controllable magnetic ground states of 1T metal diiodide MI 2 (M: Fe,
Co, and Ni) monolayers by applying the electric field. To do so, we utilized the generalized …

The spin stiffness of the bilayer zigzag graphene nanoribbon for several configurations was
obtained by means of the total energy difference of the flat spiral formations within the self …

We investigated the emergence of spin spiral ground state induced by the electric field in the
bilayer zigzag graphene nanoribbons for the ferromagnetic edge states. To do that, we …

We have employed the generalized Bloch theorem to evaluate the spin stiffness constants of
3 d transition metals (bcc-Fe, fcc-Co, and fcc-Ni) within the linear combination of pseudo …