相关论文: Structural distortion in Ludwigites
For any negative definite plumbed 3-manifold M we construct from its plumbed graph a graded Z[U]-module. This, for rational homology spheres, conjecturally equals the Heegaard-Floer homology of Ozsvath and Szabo, but it has even more…
We propose a quantum-mechanical dimensionless metric, the local$-$lattice distortion (LLD), as a reliable predictor of ductility in refractory multi-principal-element alloys (RMPEAs). The LLD metric is based on electronegativity differences…
Effects of Fe-substitution on the crystal structure and magnetic correlations of the geometrically frustrated antiferromagnets YBaCo4-xFexO7+{\delta} (x = 0, 0.2, 0.4, 0.5, 0.6, and 0.8) have been studied by neutron diffraction, M\"ossbauer…
We use three-dimensional phase-field simulations to investigate the dynamics of the two-phase composite patterns formed upon during solidification of eutectic alloys. Besides the spatially periodic lamellar and rod patterns that have been…
An instability of a diffusive Fermi liquid, indicative of a metal-insulator transition (expected to be of first order), arising solely from the competition between quenched disorder and short-ranged interparticle interactions is identified…
Oxide heterostructures exhibit a vast variety of unique physical properties. Examples are unconventional superconductivity in layered nickelates and topological polar order in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices. Although it is…
Analyzing the orbital structure and lattice distortions in the CE phase of half-doped manganites, we demonstrate that the usual approach directly relating the orbital occupation of Jahn-Teller ions to the displacements of neighboring…
A universal topological marker has been proposed recently to map the topological invariants of Dirac models in any dimension and symmetry class to lattice sites. Using this topological marker, we examine the conditions under which the…
We theoretically study the conductivity of a disordered 2D metal when it is coupled to ferromagnetic magnons with a quadratic spectrum and a gap $\Delta$. In the diffusive limit, a combination of disorder and magnon-mediated electron…
X-ray and Neutron diffraction as well as muon spin relaxation and M\"ossbauer experiments performed on SrFe$_2$As$_2$ polycrystalls confirm a sharp first order transition at $T_0 = 205$,K corresponding to an orthorhombic phase distortion…
Molecular dynamics simulations are performed to investigate the misfit strain-induced buckling of the transition-metal dichalcogenide (TMD) lateral heterostructures, denoted by the seamless epitaxial growth of different TMDs along the…
The field of two-dimensional (2D) materials has expanded to multilayered systems where electronic, optical, and mechanical properties change-often dramatically-with stacking order, thickness, twist, and interlayer spacing [1-5]. For…
The recent discovery of superconductivity at high pressure in the two-leg ladder compounds BaFe$_2X_3$ ($X$=S, Se) started the novel field of quasi-one-dimensional iron-based superconductors. In this publication, we use Density Functional…
Basing our arguments on a wave function that contains both positional and superfluid order, we propose a Ginzburg-Landau functional for a supersolid with the two order parameters necessary to describe such a phase: density n_B(r) and…
Ab-initio calculations for the electronic and optical properties of single-layer (SL) tungsten disulfide (WS$_2$) in the presence of substitutional Erbium defects (Er$_{\rm W}$) are presented, where the W atom is replaced by an Er atom.…
Strong nonlinear elastic effects arise due to the Lifshitz transition associated with a change in the Fermi surface topology. It is shown that an electronic contribution to the elastic characteristics of cuprates becomes important if the…
Using $t_{2g}$ Wannier-functions, a low-energy Hamiltonian is derived for orthorhombic $3d^{1}$ transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for non-cubic systems.…
In the present paper we propose a mechanism of the structural instability with a periodic charge ordering in two-dimensional isotropic conductors with a closed Fermi surface which completely excludes the conventional nesting mechanism. We…
Under external stimuli, lead halide perovskites exhibit large atomic fluctuations, impacting optical and electron transport properties that affect device performance in operational settings. However, a thorough understanding of the atomic…
We consider Lagrangians in 3+1 dimensions admitting topological defects where there is an additional coupling between the defect scalar field $\Phi$ and the gauge field kinetic term (eg $B(\vert \Phi \vert^2) F_{\mu \nu}F^{\mu \nu}$). Such…