Related papers: Two-dimensional Iron Monocarbide with Planar Hyper…
Two-dimensional magnets are promising for nanoscale spintronic applications. Currently, most available candidates are based on $3d$ transition metal compounds, with hexagonal or honeycomb lattice geometry. Here, a GdCl$_3$ monolayer with…
Magnetoelectric (ME) multiferroics enable efficient interconversion of electrical and magnetic signals, offering pathways toward substantial reduction of power consumption in next-generation computing and information technologies. However,…
Functionalities in crystalline materials are determined by 3-dimensional collective interactions of atoms. The confinement of dimensionality in condensed matter provides an exotic research direction to understand the interaction of atoms,…
A new iron-based superconductor (Ca,Pr)FeAs2 was discovered. Plate-like crystals of the new phase were obtained and crystal structure was investigated by single-crystal X-ray diffraction analysis. The structure was identified as the…
We present theoretical study of relative stability as well as of the magnetic and electronic properties of AgF2 and CuF2, in two related structural forms: orthorhombic (ambient pressure form of AgF2) and monoclinic (ambient pressure form of…
We study a versatile structurally favorable periodic $sp^2$-bonded carbon atomic planar sheet with $C_{4v}$ symmetry by means of the first-principles calculations. This carbon allotrope is composed of carbon octagons and squares with two…
Ridged, orthorhombic two-dimensional atomic crystals with a bulk {\em Pnma} structure such as black phosphorus and monochalcogenide monolayers are an exciting and novel material platform for a host of applications. Key to their…
Epitaxial engineering of solid-state heterointerfaces is a leading avenue to realizing enhanced or novel electronic states of matter. As a recent example, bulk FeSe is an unconventional superconductor with a modest transition temperature…
Two-dimensional (2D) transition metal dichalcogenides MX2 (M = Mo, W, X = S, Se, Te) attracts enormous research interests in recent years. Its 2H phase possesses an indirect to direct bandgap transition in 2D limit, and thus shows great…
Two-dimensional chromium ditelluride (CrTe2) is a promising ferromagnetic layered material that exhibits long-range ferromagnetic ordering in the monolayer limit. The formation energies of the different possible structural phases (1T, 1H,…
Strain engineering is a vital way to manipulate the electronic properties of two-dimensional (2D) materials. As a typical representative of transition metal mono-chalcogenides (TMMs), a honeycomb CuSe monolayer features with one-dimensional…
A single band $t$-$U$-$J_1$-$J_2$ model is proposed as the minimum model to describe the superconductivity of the newly discovered iron-based superconductors $R(O_{1-x}F_x)FeAs$ and $RO_{1-x}FeAs$ ($R=La, Ce, Sm, Pr, Nd,Gd$). With the…
Two-dimensional materials that exhibit spontaneous electric polarization are of notable interest for functional materials. However, despite many two-dimensional polar materials are predicted in theory, the number of experimentally confirmed…
The evolution of titanyl-phthalocyanine (TiOPc) thin films on Ag(111) has been investigated using IRAS, SPA-LEED and STM. In the (sub)monolayer regime various phases are observed that can be assigned to a 2D gas, a commensurate and a…
Pure borocarbides suffer from limited superconducting potential due to intrinsic structural instability, requiring transition/alkali metals as dual-functional stabilizers and dopants. Here, by combining high-throughput screening with…
The iron-based high-$T_c$ superconductors exhibit rich phase diagrams with intertwined phases, including magnetism, nematicity and superconductivity. The superconducting $T_c$ in many of these materials is maximized in the regime of strong…
We study the elastic energy landscape of two-dimensional tin oxide (SnO) monolayers and demonstrate a transition temperature of $T_c=8.5\pm 1.8$ K using ab-initio molecular dynamics (MD), that is close to the value of the elastic energy…
Dirac points in two-dimensional (2D) materials have been a fascinating subject of research, with graphene as the most prominent example. However, the Dirac points in existing 2D materials, including graphene, are vulnerable against…
Layered materials that exhibit magnetic ordering in their pristine form are very rare. Several standard approaches, such as adsorption of atoms, introduction of point defects, and edge engineering, have been developed to induce magnetism in…
Single-atom-thick two-dimensional materials such as graphene usually have a hexagonal lattice while the square-planar lattice is uncommon in the family of two-dimensional materials. Here, we demonstrate that single-atom-thick transition…