Related papers: Two-dimensional Heisenberg models with materials-d…
An approach to compute exchange parameters of the Heisenberg model in plane-wave-based methods is presented. This calculation scheme is based on the Green's function method and Wannier function projection technique. It was implemented in…
Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless…
The field of two-dimensional (2D) ferromagnetism has been proliferating over the past few years, with ongoing interests in basic science and potential applications in spintronic technology. However, a high-resolution spectroscopic study of…
We study the quantum spin-1/2 Heisenberg model in two dimensions, interacting through a nearest-neighbor antiferromagnetic exchange ($J$) and a ferromagnetic dipolar-like interaction ($J_d$), using double-time Green's function, decoupled…
We report on high-field magnetization, specific-heat and electron spin resonance (ESR) studies of the quasi-two-dimensional spin-1/2 Heisenberg antiferromagnet [Cu(pyz)2(HF2)]PF6. The frequency-field diagram of ESR modes below TN = 4.38 K…
We have calculated Heisenberg exchange parameters for bcc-Fe, fcc-Co, and fcc-Ni using the scalar-relativistic spin-polarized Green function technique within the tight-binding linear muffin-tin orbital method and by employing the magnetic…
We investigate the magnetocrystalline anisotropy, critical behavior, and magnetocaloric effect in ferromagnetic-layered Cr$_2$Te$_3$. We have studied the critical behavior around the Curie temperature ($T_C$) using various techniques,…
In this study, we use Hubbard-Corrected density functional theory (DFT+$U$) to derive spin model Hamiltonians consisting of Heisenberg exchange interactions up to the fourth nearest neighbors and bi-quadratic interactions. We map the…
FeNbTe$_{2}$, long known as a van der Waals metallic system, has recently been resynthesized and shown to exhibit ferromagnetic order. In this study, using first-principles density functional theory (DFT), we aim to provide a deeper insight…
We perform a computational screening for two-dimensional magnetic materials based on experimental bulk compounds present in the Inorganic Crystal Structure Database and Crystallography Open Database. A recently proposed geometric descriptor…
Detailed experimental investigations of thermal and magnetic properties are presented for Cu(NH3)4SO4.H2O, an ideal uniform Heisenberg spin half chain compound. A comparison of these properties with relevant spin models is also presented.…
BaMn2As2 is unique among BaT2As2 compounds crystallizing in the body-centered-tetragonal ThCr2Si2 structure, which contain stacked square lattices of 3d transition metal T atoms, since it has an insulating large-moment (3.9 muB/Mn) G-type…
The electronic structure and magnetic exchange interactions in pure and V-doped Fe16N2 are studied within the framework of density functional theory. The Curie temperatures were obtained with both mean field approximation (MFA) as well as…
A microscopic theory for rare-earth ferromagnetic hexaborides, such as Eu(1-x)Ca(x)B6, is proposed on the basis of the double-exchange Hamiltonian. In these systems, the reduced carrier concentrations place the Fermi level near the mobility…
Two-dimensional (2D) magnetic materials have attracted tremendous research interest because of the promising application in the next-generation microelectronic devices. Here, by the first-principles calculations, we propose a…
Achieving large-scale growth of two-dimensional (2D) ferromagnetic materials with high Curie temperature (TC) and perpendicular magnetic anisotropy (PMA) is highly desirable for the development of ultra-compact magnetic sensors and magnetic…
We calculate the N\'eel temperature $T_N$ for two-dimensional isotropic dipolar Heisenberg antiferromagnets via linear spin-wave theory and a high temperature expansion, employing the method of Callen. The theoretical predictions for $T_N$…
A Monte Carlo simulation is performed in a cubic lattice of interacting identical Stoner-Woldfarth nanoparticles. The model system is a randomly-anisotropic Heisenberg spin system with a small anisotropy-to-exchange ratio D/J = 3.5. The dc…
van der Waals heterostructures consisting of transition metal dichalcogenides (TMDs) and two-dimensional (2D) magnets offer a versatile platform to study the coexistence and transformation of different excitons. By focusing on TMD WSe$_2$…
We investigate the emergence of ferromagnetism in the two-dimensional metal-halide CoBr$_2$, with a special focus on the role of electronic correlations. The calculated phonon spectrum shows that the system is thermodynamically stable…