相关论文: Complex magnetism of lanthanide intermetallics unr…
We calculate the electronic structure and magnetic properties of hydrogenated graphite surfaces using van der Waals density functional theory (DFT) and model Hamiltonians. We find, as previously reported, that the interaction between…
The magnetic behavior of the compound, Gd3Ru4Al12, which has been reported to crystallize in a hexagonal structure about two decades ago, had not been investigated in the past literature despite interesting structural features (that is,…
Magnetization, resistivity and specific heat measurements were performed on the solution-grown, single crystals of six GdT$_2$Zn$_{20}$ (T = Fe, Ru, Os, Co, Rh and Ir) compounds, as well as their Y analogues. For the Gd compounds, the Fe…
The infinite-dimensional Hubbard model is studied by means of a modified perturbation theory. The approach reduces to the iterative perturbation theory for weak coupling. It is exact in the atomic limit and correctly reproduces the…
Recent realizations of intrinsic, long-range magnetic orders in two-dimensional (2D) van der Waals materials have ignited tremendous research interests. In this work, we employ the XXZ Heisenberg model and Monte Carlo simulations to study a…
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation…
Experimental data show that under pressure, Gd goes through a series of structural transitions hcp to Sm-type (close-packed rhombohedral) to dhcp that is accompanied by a gradual decrease of the Curie temperature and magnetization till the…
We present an explanation of recently observed giant magnetic moment and room-temperature ferromagnetism in the dielectric GaN doped with Gd. Our approach uses the polarization mechanism of exchange interaction, which occurs if the d-level…
A detailed microscopic and quantitative description of the electronic and magnetic properties of Gd$^{3+}$-doped YCo$_{2}$Zn$_{20}$ single crystals (Y$_{1-x}$Gd$_{x}$Co$_{2}$Zn$_{20}$: (0.002 $\lesssim x \leq $ 1.00) is reported through a…
Results of first-principles electronic structure calculations for the isotypic compounds GdAuX (ZrNiAl type, X = Mg, Cd, and In) are presented. We report on a systematic examination of the electronic structure and nature of the bonding in…
We investigate the magnetic and magneto-optic properties of epitaxial GaN:Gd layers as a function of the external magnetic field and temperature. An unprecedented magnetic moment is observed in this diluted magnetic semiconductor. The…
We present a temperature-dependent reflectivity study of single crystals of the ternary intermetallic compounds GdCu$_2$Ge$_2$ and GdCuAl$_3$ over a broad spectral range (100-18000 cm$^{-1}$, equivalent to 12 meV-2.23 eV) down to 13 K.…
The microscopic origin of ferromagnetism in correlated materials remains heavily debated, particularly for the competing mechanisms governing insulating versus metallic phases. In this work, we theoretically study the electronic structure…
Earlier theoretical results on $p$-$d$ and $d$-$d$ exchange interactions for zinc-blende semiconductors with $\mathrm{Cr}^{2{+}}$ and $\mathrm{Mn}^{3{+}}$ ions are revisited and extended by including contributions beyond the dominating…
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…
The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In the present prospective article we show that Density…
In the fundamental understanding of magnetic interactions between atoms in solids, the crystal lattice is one of the key parameters. As the effective tool for controlling the lattice using tensile stress is limited, there are only few…
Determining the angular momentum compensation temperature of ferrimagnets is an important step towards ferrimagnetic spintronics, but is not generally easy to achieve it experimentally. We propose a way to estimate the angular momentum…
The prospects of half-metallic ferromagnetism being induced by the incorporation of C atoms into alkaline-earth-metal-oxides are investigated by the first principle calculation. The origin of the ferromagnetism is discussed through the…
This work reports on magnetic, dielectric, thermodynamic and magnetoelectric properties of Gd$_{1-x}$Y$_{x}$MnO$_{3}$, with 0 \leq x \leq 0.4, with emphasis on the (x, T) phase diagram, towards unraveling the role of the driving mechanisms…