相关论文: Switching ferroelectricity in SnSe across diffusio…
We use a density-functional-theory (DFT) approach with a modified Becke-Johnson exchange plus local density approximation (LDA) correlation potential (mBJLDA) [semi-local, orbital-independent, producing accurate semiconductor gaps. see F.…
The recent discovery of high-temperature superconductivity in single-layer iron selenide has generated significant experimental interest for optimizing the superconducting properties of iron-based superconductors through the lattice…
The structural stability and phonon properties of SnSe/SnS superlattices at finite temperatures have been studied using machine learning force field molecular dynamics and the anharmonic phonon approach. The vertical SnSe/SnS superlattice…
In this article, we use hybrid density functional (HSE06) to study the crystal and electronic structures and optical properties of well known phase change memory material $\mathrm{Ge_{2}Sb_{2}Te_{5}}$. We calculate the structural…
Half-metallic Heusler alloy compounds with Curie temperatures above room temperature are suitable candidate electrode materials for injecting large spin-polarised charge carriers into the semiconducting barriers at the ferromagnet…
We performed detailed conductivity and tunneling mesurements on the amorphous, magnetically doped material $\alpha$-Gd$_x$Si$_{1-x}$ (GdSi), which can be driven through the metal-insulator transition by the application of an external…
Tin chalcogenides (SnS, SnSe, and SnTe) are found to have improved thermoelectric properties upon the reduction of their dimensionality. Here we found the tilted AA + s stacked two-dimensional (2D) SnTe bilayer as the most stable phase…
Ferroelectric tunnel junctions, in which ferroelectric polarization and quantum tunneling are closely coupled to induce the tunneling electroresistance (TER) effect, have attracted considerable interest due to their potential in…
Abstract: We report on emergence of an abnormal electronic polarization in twisted double bilayer WSe2 in antiparallel interface stacking geometry, where local centrosymmetry of atomic registries at the twist interface does not favor the…
Electron-crystal and phonon-glass are regarded as two essential factors for ideal thermoelectric materials, which require both an enhanced electronic transport and a depressed phononic transport. These two characteristics usually can not…
Competition between collective states like charge density wave and superconductivity is played out in some of the transition metal dichalcogenides unencumbered by the spin degrees of freedom. Although 2H-NbSe$_2$ has received much less…
Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended…
The present work aims to address the electronic and magnetic properties of the intermetallic compound GdPd$_2$Bi through a comprehensive study of the structural, magnetic, electrical and thermal transport on a polycrystalline sample,…
A novel state is predicted for a S/F heterostructure. It is shown that the equilibrium F/S bilayer can be in a bistable state: one state is ground and the other is metastable. One of these states is always normal and the other is…
In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsK$_2$Sb at different compressive strains. This material exhibits a valence band structure with significant effective mass…
We present magnetic susceptibility and electrical transport measurements of the highly anisotropic compound LaSb$_2$ observing a very broad transition into a clean, consistent with type-I, superconducting state with distinct features of 2…
Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…
Multi-layered materials provide fascinating platforms to realize various functional properties, possibly leading to future electronic devices controlled by external fields. In particular, layered magnets coupled with conducting layers have…
Transition-metal-dichalcogenides own a variety of structures as well as electronic properties which can be modulated by structural variations, element substitutions, ion or molecule intercalations, etc. However, there is very limited…
The stability of the superconducting dissipationless and resistive states in single-crystalline NbSe2 nanobelts is characterized by transport measurements in an external magnetic field (H). Current-driven electrical measurements show…