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We study phenomenologically on the basis of two bilinearly coupled Heisen- berg models the phase diagram of some ferrimagnetic substances. Calculations are performed with the help of Landau energy obtained through applying the…
Using Density Functional Theory (DFT) calculations and Monte-Carlo (MC) simulations, we investigate the recently reported magnetic transition in B2 Al-Cr-Co alloys. The Cr sublattice is alloyed with different amounts of Co in the…
We study magnetic, transport and thermodynamic properties of the half-filled two-dimensional ($2D$) Hubbard model with layered distributed repulsive interactions using unbiased finite temperature quantum Monte Carlo simulations.…
The magnetic and thermodynamic properties of spin-1/2 Heisenberg diamond chains are investigated in three different cases: (a) J1, J2, J3>0 (frustrated); (b) J1, J3<0, J2>0 (frustrated); and (c) J1, J2>0, J3<0 (non-frustrated). The density…
The temperature dependent order parameter provides important information on the nature of magnetism. Using traditional methods to study this parameter in two-dimensional (2D) magnets remains difficult, however, particularly for insulating…
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…
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…
The thermodynamics of low dimensional spin-1/2 Heisenberg ferromagnets (HFM) in an external magnetic field is investigated within a second-order two-time Green function formalism in the wide temperature and field range. A crucial point of…
Finding the true magnetic structure at given external conditions is crucial for describing magnetic materials and predicting their properties. This is especially important for high-throughput screening of potentially good magnets that…
The coexistence and competition of superconductivity and magnetism can lead to a variety of rich physics and technological applications. Recent discovery of atomic-layer superconductors and self-assembly of magnetic molecules on solid…
We present a study of the spin-1/2 Heisenberg chain with alternating ferro- and antiferromagnetic exchange, focusing on the role of the exchange couplings to cover both, dimer and Haldane limit. Employing a complementary combination of…
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and…
The thermodynamic properties of a classical d-dimensional spin-S Heisenberg ferromagnet, with long-range interactions decaying as $r^{-p}$ and in the presence of an external magnetic field, is investigated by means of the spectral density…
Monolayer MnO$_2$ is one of the few predicted two-dimensional (2D) ferromagnets that has been experimentally synthesized and is commercially available. The Mermin-Wagner theorem states that magnetic order in a 2D material cannot persist…
We investigate numerically the magnetic properties of the 3D Isotropic and Anisotropic Hubbard model at half-filling. The behavior of the transition temperature as a function of the anisotropic hopping parameter is qualitatively described.…
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions…
To broaden the scope of van der Waals 2D magnets, we report the synthesis and magnetism of covalent 2D magnetic Cr$_2$Te$_3$ with a thickness down to one-unit-cell. The 2D Cr$_2$Te$_3$ crystals exhibit robust ferromagnetism with a Curie…
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…
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.…
Nearest-neighbor Heisenberg antiferromagnet on a face-centered cubic lattice is studied by extensive Monte Carlo simulations in zero magnetic field. The parallel tempering algorithm is utilized, which allows to overcome a slow relaxation of…