相关论文: Strain-induced structural instability in FeRh
We study the momentum- and temperature dependencies of magnetic susceptibilities and magnetic exchange in paramagnetic fcc iron by a combination of density functional theory and supercell dynamical mean-field theory (DFT+DMFT). We find that…
In this work, we investigate the magnetic structures of $(Fe_{1-x}Mn_x)_2AlB_2$ solid-solution quaternaries in the $x = 0$ to $1$ range using x-ray and neutron diffraction, magnetization measurements, and mean-field theory calculations.…
The phenomenon of ferromagnetic resonance (FMR) provides fundamental information on the physics of magnetic materials and lies at the heart of a variety of signal processing microwave devices. Here we demonstrate theoretically that…
Temperature-dependent resistivity and magnetoresistance are measured in bulk tetragonal phase of antiferromagnetic CuMnAs and the latter is found to be anisotropic both due to structure and magnetic order. We compare these findings to model…
Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and…
Diluted magnetic semiconductors possessing intrinsic static magnetism at high temperatures represent a promising class of multifunctional materials with high application potential in spintronics and magneto-optics. In the hexagonal Fe-doped…
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…
The coupling between structural, electronic and magnetic degrees of freedom across the metal-insulator transition in V2O3 makes it hard to determine the main driving mechanism behind the transition. Specifically, the role of magnetism has…
Domain switching is the cornerstone of ferroelectric materials. Most associated functionalities can be tuned via domain switching, including but not limited to piezoelectricity, thermal conductivity, domain wall conductivity and topological…
First-principles based on density functional theory is used to study the phase stability, elastic, magnetic, and electronic properties of cubic (c)-Fe$_4$C. Our results show that c-Fe$_{4}$C has a ferromagnetic (FM) ground state structure…
The magnetic and structural properties of MnAs are studied with ab initio methods, and by mapping total energies onto a Heisenberg model. The stability of the different phases is found to depend mainly on the volume and on the amount of…
Fe-Cr binary alloys serve as simplified model systems to study irradiation damage relevant to fusion structural materials. Here, Fe-3%Cr and Fe-5%Cr samples were irradiated with 4 MeV Fe ions under a dose rate of 4x10^5 dpa/s across a…
The structure and stability of iron near melting at multi-megabar pressures are of significant interest in high pressure physics and earth and planetary sciences. While the body-centered cubic (BCC) phase is generally recognized as unstable…
Electronic, magnetic, and transport properties of the antiferromagnetic (AFM) CuMnAs alloy with tetragonal structure, promising for the AFM spintronics, are studied from first principles using the Vienna ab-initio simulation package. We…
It is a long-time pursuit of computations with \emph{ab initio} precision of thermal contributions to phase behaviors of condensed matters under extreme conditions. In this work, the pressure induced structural phase transitions of…
We describe an ab-initio Disordered Local Moment Theory for materials with quenched static compositional disorder traversing first order magnetic phase transitions. It accounts quantitatively for metamagnetic changes and the magnetocaloric…
Uncompensated moments in antiferromagnets are responsible for exchange bias in antiferromagnet/ferromagnet heterostructures; however, they are difficult to directly detect because any signal they contribute is typically overwhelmed by the…
Nematic phases that break rotational symmetry are widely observed in quantum materials, and clarifying their origin and relationship with other symmetry-breaking phases remains an important but challenging task. In this work, we investigate…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
The antiferromagnetic ground state and the metamagnetic transition to the ferromagnetic state of CsCl-ordered FeRh epilayers have been characterized using Hall and magnetoresistance measure- ments. On cooling into the ground state, the…