相关论文: Novel Tungsten Triboride

The recently developed hadron resonance gas model with multicomponent hard-core repulsion is used to address and resolve the long standing problem to describe the light nuclear cluster multiplicities including the hyper-triton measured by…

Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) for the first time. All…

Nitrides, carbides and borides of transition metals are an attractive class of hard materials. Our recent preliminary explorations of the binary chemical compounds indicated that chromium-based materials are among the hardest transition…

The recent discovery of H3S and LaH10 superconductors with record high superconducting transition temperatures, Tc, at high pressure, has fueled the search for room-temperature superconductivity in the compressed superhydrides. Here we…

We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…

A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a…

Following the idea that hydrogen-rich compounds might be high-T$_c$ superconductors at high pressures, and the very recent breakthrough in predicting and synthesizing hydrogen sulfide with record-high T$_c$ = 203 K, ab initio evolutionary…

Torsion pendulums provide an opportunity to trap large masses in a potential weak enough to explore two-body gravitation. Cooled to, and then released from a ground state, weak quantum effects, including those from gravity, might reveal…

We exhaustively search quaternary metal hydrides based on the (13-2-1) and (13-3-1) structures that are the two of the putative densest ternary sphere packings in cubic systems [R. Koshoji \textit{et al.}, Phys. Rev. E \textbf{104}, 024101…

Using first principles calculation, the structural and mechanical properties of BP$_3$N$_6$ which adopts an orthorhombic structure with space group Pna2$_1$ (no. 33), were determined at three different pressure values (0, 20 and 42.4~GPa).…

We have recently observed that hadron triangle singularities, that can mock new exotic hadrons, can be significanttly suppressed in relativistic heavy ion collisions, provided two conditions are met: these are, first, that the fireball…

We have performed first-principles evolutionary searches for all stable titanium nitrides and have found, in addition to the well-known rocksalt-type TiN, new ground states Ti$_3$N$_2$, Ti$_4$N$_3$, Ti$_6$N$_5$ at atmospheric pressure, and…

With the motivation of discovering high-temperature superconductors, evolutionary algorithm is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH$_4$, new hydrides SnH$_8$, SnH$_{12}$ and…

A novel crystalline structure of hybrid monolayer hexagonal boron nitride (BN) and graphene is predicted by means of the first-principles calculations. This material can be derived via boron or nitrogen atoms substituted by carbon atoms…

A structurally stable crystalline carbon allotrope is predicted by means of the first-principles calculations. This allotrope can be derived by substituting each atom in diamond with a carbon tetrahedron, and possesses the same space group…

A high-throughput screening using density functional calculations is performed to search for stable boride superconductors from the existing materials database. The workflow employs the fast frozen phonon method as the descriptor to…

Conventional drop-weight techniques were modified to accommodate low-amplitude force transducer signals from low-strength, cold isostatically pressed 'heavy' composites of polytetrafluoroethylene, aluminum and tungsten. The failure…

A trapped field of over 1 T at 5 K and 0.5 T at 20 K has been measured between a stack of magnetized cylinders of bulk polycrystalline Ba0.6K0.4Fe2As2 superconductors 10 mm in diameter and 18 mm in combined thickness. The trapped field…

Binary uranium hydrides, UHx (x = 1, 2, 3, 5, 6, 7, 8), with different crystal symmetries are potentially interesting compounds for high-Tc superconductivity and as hydrogen storage systems. In this work we have explored the structural,…

Hydrogen-rich ternary hydrides are promising candidates for high-Tc superconductivity at megabar pressures, yet their chemical space is vast and largely unexplored. Combining evolutionary structure searches with first-principles…