Related papers: Predicting Stable Phase Monolayer Mo$_2$C (MXene),…
Inspired by the synthesis of the high-pressure Fm-3m LaH10 superconducting superhydride, systematic density functional theory (DFT) calculations are performed to study ternaries that could be derived from it by replacing two of the hydrogen…
Mo$X_2$ ($X$=S or Se) is a semiconductor family with two-dimensional structure. And a recent calculation predicted the superconductivity in electron doped MoS$_2$ monolayer. In this work, the electronic structure and lattice dynamics of…
Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically study the phonon transport and thermal conductivity of…
Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…
2H-NbSe2 is the prototype and most frequently studied of the well-known transition metal dichalcogenide (TMDC) superconductors. Widely acknowledged to be a conventional superconductor, its transition temperature to the superconducting state…
Charge density wave (CDW) formation in two-dimensional materials is governed by complex competing lattice instabilities that remain incompletely understood. Here, we investigate the structural evolution of monolayer $\mathrm{1T-VSe}_{2}$…
A monolayer of the high-$T_c$ superconductor FeTe$_{1-x}$Se$_x$ has been predicted to realize a topologically non-trivial state with helical edge modes at its boundary, providing a novel intrinsic system to search for topological…
Monolayer transition metal dichalcogenide (TMD) semiconductors such as MoSe$_2$ host strongly bound excitons which are known to exhibit a strong resonant third-order nonlinear response. Although there have been numerous studies of the…
Transition metal dichalcogenides (TMDs) constitute an intriguing platform for studying charge-ordered states including conventional and generalized Wigner crystals as well as Mott insulating states. In this work, we combine a phonon mode…
Phase behaviors of two-dimensional (2D) systems constitute a fundamental topic in condensed matter and statistical physics. Although hard polygons and interactive point-like particles are well studied, the phase behaviors of more realistic…
The orthorhombic molybdenum carbide superconductor with $T_c$ = 3.2 K was investigated by muon-spin rotation and relaxation ($\mu$SR) measurements and by first-principle calculations. The low-temperature superfluid density, determined by…
We have successfully synthesized a new superconducting phase of FeTe1-xSx with a PbO-type structure. It has the simplest crystal structure in iron-based superconductors. Superconducting transition temperature is about 10 K at x = 0.2. The…
A maximum superconductive transition temperature $T_\textrm{C}$ = 203.5 K has recently been reported for a sample of the binary compound tri-hydrogen sulfide (H$_\textrm{3}$S) prepared at high pressure and with room temperature annealing.…
Superconductivity in transition metal nitrides (TMNs) has been investigated for a long time, such as zirconium nitride (ZrN) with a superconducting transition temperature Tc of 10 K. Recently, a phase diagram has been revealed in ZrNx with…
MXenes are a large family of two-dimensional transition metal carbides and nitrides that possess excellent electrical conductivity, high volumetric capacitance, great mechanical properties, and hydrophilicity. In this work, we generalize…
We designed and investigated a series of ternary hydride compounds MXH$_{12}$ crystallizing in the cubic $Pm\overline{3}m$ structure as potential rare-earth and alkaline-earth superconductors. First-principles calculations were performed on…
As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen…
Transition Metal Nitrides are a versatile class of materials, combining chemical robustness, high hardness, and superconducting behaviour with critical temperatures between 2 to 10 K. While several binary TMNs have been explored,…
Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB phases, have come under scrutiny as a means of obtaining…
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…