Related papers: Two-dimensional Iron Monocarbide with Planar Hyper…
The evolution of the physical properties of two-dimensional material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct tuning knob for applications. Monolayer 1T'-phase…
Previous studies have accurately determined the effect of transition metal point defects on the properties of bcc iron. The magnetic properties of transition metal monolayers on the iron surfaces have been studied equally intensively. In…
The discovery of high-temperature superconductivity in Fe-based compounds [1,2] has triggered numerous investigations on the interplay between superconductivity and magnetism [3] and, more recently, on the enhancement of transition…
Achieving multiferroic two-dimensional (2D) materials should enable numerous functionalities in nanoscale devices. Until now, however, predicted 2D multiferroics are very few and with coexisting yet only loosely coupled (type-I)…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
Layered materials with robust magnetic ordering have been attracting significant research interest. In recent experiments, a new layered material 1$T$-CrTe$_{2}$ has been synthesized and exhibits ferromagnetism above the room temperature.…
We present detailed ab initio study of structural and magnetic stability of a Fe-monolayer on the fcc(001) surface of iridium. The Fe-monolayer has a strong tendency to order antiferromagnetically for the true relaxed geometry. On the…
A two-dimensional (2D) material system with both piezoelectricity and ferromagnetic (FM) order, referred to as a 2D piezoelectric ferromagnetism (PFM), may open up unprecedented opportunities for intriguing physics. Inspired by…
Using first-principles plane wave calculations, we investigate two dimensional honeycomb structure of Group IV elements and their binary compounds, as well as the compounds of Group III-V elements. Based on structure optimization and phonon…
Monolayer AlB$_2$ is composed of two atomic layers: honeycomb borophene and triangular aluminum. In contrast with the bulk phase, monolayer AlB$_2$ is predicted to be a superconductor with a high critical temperature. Here, we demonstrate…
The intercalated iron selenide (Li,Fe)OHFeSe has a strongly layered structure analogous to the quasi two-dimensional (2D) bismuth cuprate superconductors, and exhibits both high-temperature (Tc) and topological superconductivity. However,…
Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that…
We investigate the properties of oxygen-functionalized carbides of lanthanide elements with the composition M2CO2 (M=Gd, Tb,Dy) that form two-dimensional (2D) structures. Our ab initio calculations reveal that oxygen termination turns M2C…
Based on a rare-earth Gd atom with 4$f$ electrons, through first-principles calculations, we demonstrate that the Janus 2H-GdIBr monolayer exhibits an intrinsic ferromagnetic (FM) semiconductor character with an indirect band gap of 0.75…
As the bulk single-crystal MoN2/ReN2 with a layered structure was successfully synthesized in experiment, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth-metal (Rem) elements…
Coexistence of antiferromagnetism and d-wave superconductivity within a CuO_2 plane was recently observed in a wide doping region for multilayer high-temperature cuprate superconductors. We find that the experimental phase diagram is well…
Two-dimensional (2D) superconductors supply important platforms for exploring new quantum physics and high-$T_c$ superconductivity. The intrinsic superconducting properties in the 2D iron-arsenic superconductors are still unknown owing to…
We proposed a new two-dimensional carbon material named 2-(111) planar T-carbon, which is obtained by slicing bulk T-carbon along its (111) crystallographic direction. 2-(111) planar T-carbon's optical and electrical properties can be…
Material research has been a major driving force in the development of modern nano-electronic devices. In particular, research in magnetic thin films has revolutionized the development of spintronic devices; identifying new magnetic…
We present a combined experimental and theoretical study of monolayer VTe2 grown on highly oriented pyrolytic graphite by molecular-beam epitaxy. Using various in-situ microscopic and spectroscopic techniques, including scanning tunneling…