相关论文: Could face-centered cubic titanium in cold-rolled …
Boron nitride (BN) is an exceptional material and among its polymorphs, two-dimensional (2D) hexagonal and three-dimensional (3D) cubic BN (h-BN and c-BN) phases are most common. The phase stability regimes of these BN phases are still…
The electronic properties relevant to the superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in large part to determine whether their properties are suitable for potential use in superconducting qbits. The…
Since the discovery of superconductivity at 200 K in H3S [1] similar or higher transition temperatures, Tcs, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved…
In this paper, we study the production of a top-quark in association with a bottom-quark and a electron-neutrino at the Future Circular Collider Hadron Electron (FCC-he) to probe the sensitivity on its magnetic moment $(\hat a_V)$ and its…
Charged colloidal particles - both on the nano and micron scales - have been instrumental in enhancing our understanding of both atomic and colloidal crystals. These systems can be straightforwardly realized in the lab, and tuned to…
Traditionally, all superhard carbon phases including diamond are electric insulators and all conductive carbon phases including graphite are mechanically soft. Based on first-principles calculation results, we report a superhard but…
Multicomponent alloying has displayed extraordinary potential for producing exceptional structural and functional materials. However, the synthesis of single-phase, multi-principal covalent compounds remains a challenge. Here we present a…
Lithium - the lightest alkali metal - exhibits unexpected structures and electronic behaviour at high pressures. As the heavier alkalis, Li is bcc at ambient pressure and transforms first to fcc (at 7.5 GPa). The post-fcc high-pressure form…
Linear complexions are defect states that have been recently discovered along dislocations in body centered cubic Fe-based alloys. In this work, we use atomistic simulations to extend this concept and explore segregation-driven structural…
Multi-TeV center of mass energy ep colliders based on the Future Circular Collider (FCC) and linear colliders (LC) are proposed and corresponding luminosity values are estimated. Parameters of upgraded versions of the FCC are determined to…
A simple model for the angular dependent interaction between C_60 molecules in face centered cubic lattice is proposed and analyzed by use of the rigorous bifurcation approach. The quantitative results for the orientational phase transition…
A muonium hydride molecule is a bound state of muonium and hydrogen atoms. It has half the mass of a parahydrogen molecule and very similar electronic properties in its ground state. The phase diagram of an assembly of such particles is…
The theoretical exploration of the phase diagrams of binary hydrides under pressure using \emph{ab initio} crystal structure prediction techniques coupled with first-principles calculations has led to the \emph{in silico} discovery of…
Unusual properties of strongly correlated liquid observed in the high-$T_c$ superconductors and heavy-fermion (HF) metals are determined by quantum phase transitions taking place at their critical points. Therefore, direct experimental…
Controlling the crystalline structure of Hafnium Zirconate and its epitaxial relationship to a semiconducting electrode has a high technological interest, as ferroelectric materials are key ingredients for emerging electronic devices. Using…
A model lattice ab initio parameterised Hamiltonian spanning a broad range of alloy compositions and a large variety of chemical and magnetic configurations has been developed for face-centered cubic Fe-Ni alloys. Thermodynamic and magnetic…
Recently, the non-centrosymmetric bismuth tellurohalides such as BiTeCl are being studied as possible candidates of topological insulators. While some photoemission studies showed that BiTeCl is an inversion asymmetric topological…
High-purity cubic silicon carbide possesses the second-highest thermal conductivity among large-scale crystals, surpassed only by diamond, making it crucial for practical applications of thermal management. Recent theoretical studies…
Adsorbed layers of water are ubiquitously present at surfaces and fill in microscopic pores, playing a central role in many phenomena in such diverse fields as materials science, geology, biology, tribology, nanotechnology. Despite such…
High thermal conductivity electronic materials are critical components for high-performance electronic and photonic devices as either active functional materials or thermal management materials. We report an isotropic high thermal…