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A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an…
Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational…
We investigate the electronic and magnetic structures of the 122 (AM$_2$B$_2$) hexagonal transition-metal pnictides with A=(Sr, Ca), M=(Cr, Mn, Fe, Co, Ni) and B=(As, P, Sb). It is found that the family of materials share critical…
The superconducting and magnetic properties of Nb/Pd_1-xFe_x/Nb triple layers with constant Nb layer thickness d_Nb=200 A and different interlayer thicknesses are investigated. The thickness dependence of the magnetization and of the…
We perform machine learning (ML) simulations and density functional theory (DFT) calculations to search for materials with low lattice thermal conductivity, $\kappa_L$. Several cadmium (Cd) compounds containing elements from the…
The ballistic conductance through a device consisting of quantum wires, to which two stubs are attached laterally, is calculated assuming parabolic confining potentials of frequencies $\omega_w$ for the wires and $\omega_s$ for the stubs.…
We report measurements of the magnetoresistance (MR) of narrow Au wires coupled to a superconducting Al contact on one end, and a normal Au contact on the other. The MR at low magnetic field $B$ is quadratic in $B$, with a characteristic…
The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…
This article describes a model in which ferromagnetism necessarily accompanies a spin-density-wave lockin transition in the borocarbide structure provided the commensurate phase wave vector satisfies Q = (m/n)a* with m even and n odd. The…
Two organic conducting materials, where unusual aspects of their composition play important roles, are explored: beta''-(BEDT-TTF)2SF5XSO3 which exhibits superconductivity, or a metal-insulator transition (for X=CH2CF2 or CHF respectively),…
Low-temperature properties of a crystal containing superconducting inclusions of two different materials have been studied. In the approximation that the size of inclusions is much smaller than the coherence length/penetration depth of the…
We have fabricated Fe-B thin film composition spreads in search of possible superconducting phases following a theoretical prediction by Kolmogorov et al.^1 Co-sputtering was used to deposit spreads covering a large compositional region of…
Graphene (Gr), a well-known 2D material, has been under intensive investigation in the last decade due to its high potential applications in industry and advanced technological elements. The Gr, while composed with magnetic materials, has…
Using a Ginsburg-Landau free energy functional, we study the $H-T$ phase diagram of a weak magnetic superconductor, where the magnetization from the magnetic component is marginal in supporting a spontaneous vortex phase in absence of…
Resistivity measurements have been made on Nb cavities, as well as on Pb and Cu, at 296, 77, and 4.2 K by means of a contactless induced-current method. For superconductors, a constant magnetic field drives the material normal below the…
We show how to describe the coupling of electrons to non-uniform magnetic fields in the framework of the widely used norm-conserving pseudopotential appro ximation for electronic structure calculations. Our derivation applies to magnetic…
We report experimental and theoretical studies of magnetic and related properties of ErRuSi compound. Various experimental techniques such as neutron diffraction, magnetization, magneto-thermal, magneto-transport, optical have been used to…
The possibility to control the magnetic properties of a material with an electric field at room temperature is highly desirable for modern applications. Moreover, a coupling between magnetic and electric orders within a single material…
A review of new developments in theoretical and experimental electronic structure investigations of half-metallic ferromagnets (HMF) is presented. Being semiconductors for one spin projection and metals for another ones, these substances…
New materials are currently sought for use in spintronics applications. Ferromagnetic materials with half metallic properties are valuable in this respect. Here we present the electronic structure and magnetic properties of binary compounds…