Related papers: Partial order induced superconductivity in $Fe^{2+…
We propose a new mechanism for topological superconductivity based on an antiferromagnetically ordered chain of magnetic atoms on the surface of a conventional superconductor. In a weak Zeeman field, a supercurrent in the substrate…
A very fundamental and unconventional characteristic of superconductivity in iron-based materials is that it occurs in the vicinity of {\it two} other instabilities. Apart from a tendency towards magnetic order, these Fe-based systems have…
We study the effect of the non-magnetic 3\textit{d} atoms on the magnetic properties of the half-metallic (HM) semi-Heusler alloys Co$_{1-x}$Cu$_{x}$MnSb and Ni$_{1-x}$Cu$_{x}$MnSb ($0 \leq x \leq 1$) using first-principles calculations. We…
"Hidden"-order phases with high-rank multipolar order parameters have been recently detected in several cubic double perovskites of 5$d$ transition metals. Here, by constructing and solving an ab initio low-energy Hamiltonian, we show that…
Using first principles calculations as based on density functional theory, we propose a class of so far unexplored diluted ferromagnetic semiconductors and half-metals. Here, we study the electronic properties of recently synthesized $ 4d $…
A theoretical analysis of a relation between atomic and spin-electronic structures for the ground state of single-row aluminum nanowires suspended between Al(001) electrodes is demonstrated using first-principles molecular-dynamics…
In europium-based iron pnictides superconducting Fe-planes can be influenced by a Zeeman field originated from the neighboring Eu-planes. The field tends to induce spin-density waves with a ferromagnetic average which coexists with the…
A sufficiently high magnetic field applied to a superconductor will act on both the charge and the spin of the individual electrons breaking up the Cooper pairs. If the spin effect dominates, the superconducting state can develop a texture…
We investigate the influence of Landau quantization on the superconducting instability for a pure layered superconductor in the magnetic field directed perpendicular to the layers. We demonstrate that the quantization corrections to the…
We report on a density functional theory study demonstrating the coexistence of weak ferromagnetism and antiferroelectricity in boron-deficient MgB6. A boron vacancy produces an almost one dimensional extended molecular orbital, which is…
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected local spin density approximation…
Ferroelectric control of altermagnetism in momentum space has been studied widely, while the control of magnetism in real space of altermagnets are still rare. We present a design rule to identify multiferroicity in n=2 Ruddlesden-Popper…
Kamihara and coworkers' report of superconductivity at Tc = 26 K in fluorine-doped LaFeAsO inspired a worldwide effort to understand the nature of the superconductivity in this new class of compounds. These iron pnictide and chalcogenide…
Trirutile-type LiFe$_2$F$_6$ is a charge-ordered material with Fe$^{2+}$/Fe$^{3+}$ configuration. Here its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On…
The effect of a Zeeman magnetic field coupled to the spin of the electrons on the conducting properties of the disordered Hubbard model is studied. Using the Determinant Quantum Monte Carlo method, the temperature- and magnetic-field-…
A new model is proposed for the strong ferromagnetism associated with partially localized orbitals in the Fe16N2 metallic system which draws substantially from models of heavy fermion metals. The basic idea is that the spatially isolated…
Charge ordering in the low-temperature monoclinic structure of iron oxoborate (Fe2OBO3) is investigated using the local spin density approximation (LSDA)+U method. While the difference between t_{2g} minority occupancies of Fe^{2+} and…
Certain two-dimensional (2D) materials exhibit intriguing properties such as valley polarization, ferroelectricity, superconductivity and charge-density waves. Many of these materials can be manually assembled into atomic-scale multilayer…
A theoretical description is presented for low-temperature magnetic-field induced three-dimensional (3D) ordering transitions in strongly anisotropic quantum antiferromagnets, consisting of weakly coupled antiferromagnetic spin-1/2 chains…
Combining He ion irradiation and thermal mobility below 600K, we both trigger and control the transformation from chemical disorder to order in thin films of an intermetallic ferromagnet (FePd). Kinetic Monte Carlo simulations show how the…