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We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorithm. We first use cohesive energy to evaluate the…
Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…
A superconductor is a material that can conduct electricity with no resistance below its critical temperature (Tc). The highest Tc that has been achieved in cuprates1 is 133 K at ambient pressure2 and 164 K at high pressures3. As the nature…
Recent experiments have demonstrated that the metamaterial approach is capable of drastic increase of the critical temperature Tc of epsilon near zero (ENZ) metamaterial superconductors. For example, tripling of the critical temperature has…
We study a model of a composite system constructed from a "pairing layer" of disconnected attractive-U Hubbard sites that is coupled by single-particle tunneling, t_perp, to a disordered metallic layer. For small inter-layer tunneling the…
The high-throughput (HT) computational method is a useful tool to screen high performance functional materials. In this work, using the deformation potential method under the single band model, we evaluate the carrier relaxation time and…
W-B-C films were deposited on Si(100) substrates held at elevated temperature by reactive sputtering from a W target in Kr/trimethylboron (TMB) plasmas. Quantitative analysis by X-ray photoelectron spectroscopy (XPS) shows that the films…
The search for hydride compounds that exhibit high $T_c$ superconductivity has been extensively studied. Within the range of binary hydride compounds, the studies have been developed well including data-driven searches as a topic of…
We report a record high superconducting transition temperature ($T_{\rm c}$) up to 23.6 K under high pressure in the elemental metal Ti, one of the top ten most abundant elements in Earth's crust. The $T_{\rm c}$ increases monotonically…
The discovery of high-temperature superconductivity above 240 K in binary La-H and Y-H systems inspired further predictions of even higher transition temperatures in compounds such as YH10 and MgH6, which are likely to be dynamically…
We explore the structural, electronic, mechanical and thermoelectric properties of a new half Heusler compound, HfPtPb which is all metallic heavy element and has been recently been proposed to be stable [Nature Chem 7 (2015) 308]. In the…
The superconducting properties of a layered system are analyzed for the cases of zero- and non-zero angular momentum of the pairs. The effective thermodynamic potential for the quasi-2D XY-model for the gradients of the phase of the order…
This article reports the experimentally clarified crystal structure of a recently discovered sulfur hydride in high temperature superconducting phase which has the highest critical temperature Tc over 200 K which has been ever reported. For…
The empirical relation of T_co(K)=2740/<q>_c^4 between the transition temperature of optimum doped superconductors T_co and the mean cationic charge <q>_c, a physical paradox, can be recast to strongly support fractal theories of high-T_c…
Recently, Grockowiak $\textit{et al.}$ reported "hot superconductivity" in ternary or multinary compounds based on lanthanum hydride [A. D. Grockowiak $\textit{et al.}$, Front. Electron. Mater. $\textbf{2}$, 837651 (2022)]. In this paper,…
Metallic hydrogen is expected to exhibit remarkable physics. Of particular interest in this work is the possibility of high-temperature superconductivity. Comparing calculations of the superconducting critical temperatures of the solid…
Heusler compounds have always attracted a great deal of attention from researchers thanks to a wealth of interesting properties for technological applications. They are intermetallic ductile compounds, and some of them have been found to be…
We survey the phase diagram of high-pressure molecular hydrogen with path integral molecular dynamics using a machine-learned interatomic potential trained with Quantum Monte Carlo forces and energies. Besides the HCP and C2/c-24 phases, we…
Pressurized hydrogen-rich compounds, which could be viewed as precompressed metallic hydrogen, exhibit high superconductivity, thereby providing a viable route toward the discovery of high-temperature superconductors. Of particular interest…
The ab initio calculations suggest that the superconducting state in CaH6 under the pressure at 150 GPa has the highest critical temperature among the examined hydrogen-rich compounds. For this reason, the relevant thermodynamic parameters…