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Graphene is at the forefront of condensed matter sciences, because of a variety of interesting phenomena it supports. If graphene could support high Tc superconductivity, after doping for example, it will make it even more valuable. Some…
Superconductivity in the recently proposed ground-state structures of atomic metallic hydrogen is investigated over the pressure range 500 GPa to 3.5 TPa. Near molecular dissociation, the electron--phonon coupling $\lambda$ and renormalized…
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here we study the mechanical properties of 3C-SiC over a wide…
A new hight Tc Fe-based compound system, AFe2As2 with A = K, Cs, K/Sr and Cs/Sr has been found. Through electron-doping, Tc of the A = K and Cs compounds rises to ~37 K, and finally enter a spin-density-wave state (SDW) through further…
Superconductivity is a remarkable phenomenon in condensed matter physics, which comprises a fascinating array of properties expected to revolutionize energy-related technologies and pertinent fundamental research. However, the field faces…
Both superconductivity and thermoelectricity offer promising prospects for daily energy efficiency applications. The advancements of thermoelectric materials have led to the huge improvement of the thermoelectric figure of merit in the past…
On the basis of the model that was successfully applied to KC8, RbC8, and CsC8 in 1982, we have calculated the superconducting transition temperature Tc for CaC6 and YbC6 to find that the same model reproduces the observed Tc in those…
Over the past six years (2015-2021), many superconducting hydrides with critical temperatures $T_{C}$ up to 250 K, which are currently record highs, have been discovered. Now we can already say that a special field of superconductivity has…
The compression of SH$_2$ and its subsequent decomposition to SH$_3$, presumably in a cubic Im$\overline{3}$m structure, has lead to the discovery of conventional superconductivity with the highest measured and confirmed $T_c$ to date, 203…
Sulfur has recently been found to be a superconductor at high pressure. At ~93 GPa Tc is 10.1 K, and the sulfur is in a base-centered orthorhombic (b.c.o) structure. At ~160 GPa Tc is 17 K and sulfur is in a rhobohedral (b-Po) structure.…
To veryfy "hot supreconductivity" recently proposed in lanthanum hydride-based compounds, we explored thermodynamically stable and superconducting phases in the lanthanum (La)-platinum (Pt)-hydrogen (H) ternary system at 20 GPa using an…
Transition metal dichalcogenides (TMDs) usually show simple structures, however, with interesting properties. Recently some TMDs have been pointed out as type-II Dirac semimetals. In the present work, we investigate the physical properties…
We perform a thorough first-principles study on superconductivity in yttrium carbide halide Y$_2$$X_2$C$_2$ ($X$=Cl, Br, I) whose maximum transition temperature ($T_{\rm c}$) amounts to $\sim$10 K. A detailed analysis on the optimized…
Chemical doping has recently become a very important strategy to induce superconductivity especially in complex compounds. Distinguished examples include Ba-doped La$_2$CuO$_4$ (the first high temperature superconductor), K-doped BaBiO$_3$,…
In the iron arsenide compound BaFe2As2, superconductivity can be induced either by a variation of its chemical composition, e.g., by replacing Fe with Co, or by a reduction of the unit-cell volume through the application of hydrostatic…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
Elemental materials provide clean and fundamental platforms for studying superconductivity. However, the highest superconducting critical temperature (Tc) yet observed in elements has not exceeded 30 K. Discovering elemental superconductors…
Materials with honeycomb lattice structures exhibit unique electronic properties arising from their distinctive atomic arrangements. Their weakly coupled nature facilitates modulation by external stimuli, which leads to a diverse range of…
The search for room temperature superconductivity has accelerated dramatically in the last few years driven largely by theoretical predictions that first indicated alloying dense hydrogen with other elements could produce conventional…
Crystal structure and physical properties of the novel BiS2-based layered superconductors are briefly reviewed. Superconductivity in the BiS2-based layered compounds is induced by electron doping into the BiS2 conduction layers. The…