Related papers: Strong correlation between bonding network and cri…
The way atoms attach to each other defines the function(s), e.g., mechanical, optical, electronic, of a given material. The nature of the chemical bond is, therefore, one of the most fundamental issues in materials. Both ionic interactions,…
In the framework of strong-coupling formalism, we have calculated the thermodynamic parameters of superconducting state in the ${\rm YB_{6}}$ compound. The values of critical temperature ($T_{C}$) are $9.5$~K and $7.9$~K for the Coulomb…
We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…
It is important to understand the mechanism of high-temperature superconductivity. It is obvious that the interaction with large energy scale is responsible for high critical temperature $T_c$. The Coulomb interaction is one of candidates…
To understand the most-recent experiment on room-temperature superconductivity in carbonaceous sulfur hydride (CSH) systems under high pressure, we have performed extensive stoichiometry and structure searches of ternary CSH compounds using…
Research on high-temperature superconductors has primarily focused on hydrogen-rich compounds, however, the need for extreme pressures limits their practical applications. The X2MH6-type structure Mg2IrH6 stands out because it exhibits…
We report evidence for high temperature superconductivity in three dimensional networks of boron doped, ultrathin carbon nanotubes (CNTs) grown inside the ~5 Angstrom channels of ZSM-5 zeolite. Confinement stabilizes (2,1) CNTs that are…
The prediction of material-specific properties of superconducting systems such as the electronic structure and the transition temperature is one of the major challenge in modern solid-state physics. In this paper we present the first…
In most of charge density wave (CDW) systems of different material classes, ranging from traditional correlated systems in low-dimension to recent topological systems with Kagome lattice, superconductivity emerges when the system is driven…
A generalized theory of open quantum systems combined with mean-field theory is used to study a superconducting wire in contact with thermal baths at different temperatures. It is shown that, depending on the temperature of the colder bath,…
Novel superconducting compounds such as the high Tc oxides are intrinsically inhomogeneous systems. An inhomogeneous structure is created by doping and the statistical nature of the distribution of dopants. Consequently, the critical…
In the last decades several hydrogen-bond definitions were proposed by classical computer simulations. Aiming at validating their self-consistency on a wide range of conditions, here we present a comparative study of six among the most…
The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature superconductors. The recent synthesis of LaH$_{10}$ with a…
Superconductivity is observed with critical temperatures near 9K in the tetragonal compound Mo5PB2. This material adopts the Cr5B3 structure type common to supercondcuting Nb5Si3-xBx, Mo5SiB2, and W5SiB2, which have critical temperatures of…
Energy band theory is a foundational framework in condensed matter physics. In this work, we employ a deep learning method, BNAS, to find a direct correlation between electronic band structure and superconducting transition temperature. Our…
Advances in theoretical calculations boosted the searches for high temperature superconductors, such as sulfur hydrides and rare-earth polyhydrides. However, the required extremely high pressures for stabilizing these superconductors…
Discovery of superconductivity at megabar (MB) pressures in hydrogen sulfide H3S, then in metal polyhydrides, starting with binary, LaH10, etc., and ending with ternary ones, including (La, Y)H10, revolutionized the field of condensed…
In the search for high-temperature superconductivity in hydrides, a plethora of multi-hydrogen superconductors have been theoretically predicted, and some have been synthesized experimentally under ultrahigh pressures of several hundred…
We study the dynamics of water confined between hydrophobic flat surfaces at low temperature. At different pressures, we observe different behaviors that we understand in terms of the hydrogen bonds dynamics. At high pressure, the formation…
Metallic hydrogen and hydride materials stand as promising avenues to achieve room-temperature superconductivity. Characterized by their high phonon frequencies and moderate coupling strengths, several high-pressure hydrides were…