Related papers: Finite temperature magnetic interactions from firs…
First-principles calculations based on density functional theory have been widely used in studies of the structural, thermoelastic, rheological, and electronic properties of earth-forming materials. The exchange-correlation term, however,…
Voltage-driven 180$^\circ$ magnetization switching without electric current provides the possibility for revolutionizing the spintronics. We demonstrated the voltage-driven charge-mediated 180$^\circ$ magnetization switching at room…
We present a data set of calculated Curie temperatures for the main-phase compounds of rare-earth permanent magnets. We employ ab initio electronic structure calculations for the itinerant ferromagnetism and an effective spin model for the…
Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum effects of electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the…
Magnetic properties of Fe, Co, and Ni at finite temperatures have been investigated on the basis of the first-principles dynamical CPA (Coherent Potential Approximation) combined with the LDA (Local Density Approximation) + $U$ Hamiltonian…
Fermi liquid theory has been a foundation in understanding the electronic properties of materials. For weakly interacting two-dimensional (2D) electron or hole systems, electron-electron interactions are known to introduce quantum…
We compute the magnetocaloric effect (MCE) in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds as a function of the temperature and the external magnetic field. To this end we use a density functional theory approach to calculate the…
We observe an enormous $\textit{spontaneous}$ exchange bias ($\sim$300-600 Oe) - measured in an unmagnetized state following zero-field cooling - in a nanocomposite of BiFeO$_3$ ($\sim$94%)-Bi$_2$Fe$_4$O$_9$ ($\sim$6%) over a temperature…
In this study, we use Hubbard-Corrected density functional theory (DFT+$U$) to derive spin model Hamiltonians consisting of Heisenberg exchange interactions up to the fourth nearest neighbors and bi-quadratic interactions. We map the…
We study the influence of an external magnetic field h on the phase diagram of a system of Fermi particles living on the sites of a Bethe lattice with coordination number z and interacting through on-site U and nearest-neighbor V…
The properties of a phase at finite interactions can be significantly influenced by the underlying dispersion of the non-interacting Hamiltonian. We demonstrate this by studying the repulsive Hubbard model on the $2$D Lieb lattice, which…
Gd6FeBi2 is reported as the only one room-temperature magnet with a Curie temperature (Tc) of ca. 350 K among more than hundreds of compounds with its structural type, which makes it more attractive in potential applications. To reveal 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.…
Organic charge transfer salts exhibit thermal expansion anomalies similar to those found in other strongly correlated electron systems. The thermal expansion can be anisotropic and have a non-monotonic temperature dependence. We show how…
Recent experimental and theoretical studies show that the switching behavior of magnetic nanoparticles can be well controlled by external time-dependent magnetic fields. In this work, we inspect theoretically the influence of the…
Quantum mechanical superexchange interactions form the basis of quantum magnetism in strongly correlated electronic media. We report on the direct measurement of superexchange interactions with ultracold atoms in optical lattices. After…
We demonstrate that the angular momentum compensation temperature $T_A$, at which the net angular momentum in the sample disappears, can be controlled in Ho$_3$Fe$_5$O$_{12}$ by partially substituting Dy for Ho. The $T_A$ can be detected…
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…
Body-centered cubic (bcc) Fe-Mn systems are known to exhibit a complex and atypical magnetic behaviour from both experiments and 0 K electronic-structure calculations, which is due to the half-filled 3d-band of Mn. We propose effective…
We describe the enhanced magnetic transition temperatures $T_c$ of two-component fermions in three-dimensional layered Lieb lattices, which are created in cold atom experiments. We determine the phase diagram at half-filling using the…