相关论文: Phase Diagram of Boron Carbide With Variable Carbo…
We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…
Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…
We consider a mixture of hard core bosonic polar molecules, interacting via repulsive dipole-dipole interaction, and one atomic bosonic species. The mixture is confined on a two-dimensional square lattice and, at low enough temperatures,…
We investigate phase transitions in boson-fermion systems. We propose an analytically solvable model (E(5/12)) to describe odd nuclei at the critical point in the transition from the spherical to $\gamma$-unstable behaviour. In the model, a…
We investigated the stability of polymeric CO2 over a wide range of pressures, temperatures, and chemical environments. We find that the I-42d polymeric structure, consisting of a three-dimensional network of corner sharing CO4 tetrahedra,…
We prove theoretically the possibility of electric-field controlled polaron formation involving flexural (bending) modes in suspended carbon nanotubes. Upon increasing the field, the ground state of the system with a single extra electron…
We study the phase diagram of two weakly coupled one-dimensional dipolar boson chains at half-odd-integer fillings. We find that the system contains a rich phase diagram. Four different phases are found. They are the Mott insulators, the…
Samarium substituted bismuth ferrite (BiFeO3) ceramics prepared by sol-gel synthesis method were studied using both local scale and microscopic measurement techniques in order to clarify an evolution of the crystal structure of the…
Boron bulk crystals are marked by exceptional structural complexity and unusual related physical phenomena. Recent reports of hydrogenated $\alpha$-tetragonal and a new $\delta$-orthorhombic boron B$_{52}$ phase have raised many fundamental…
Carbon, the fourth most abundant element in the Universe forms a metallic fluid with transient covalent bonds on melting. Its liquid-liquid phase transitions, intensely sought using simulations had been elusive. Here we use density…
We have studied the changes in the electronic structure and the superconducting transition temperature T_c of Mg(B_{1-x}C_{x})_{2} alloys as a function of x with 0\leq x\leq 0.3. Our density-functional-based approach uses coherent-potential…
Ridged, orthorhombic two-dimensional atomic crystals with a bulk {\em Pnma} structure such as black phosphorus and monochalcogenide monolayers are an exciting and novel material platform for a host of applications. Key to their…
We study the phase diagram of ultra-cold bosonic polar molecules loaded on a two-dimensional optical lattice of hexagonal symmetry controlled by external electric and microwave fields. Following a recent proposal in Nature Physics…
During past years, a number of reports have been published on synthesis of tetragonal allotrope of boron, t-B52 phase. However, no unambiguous characterization of the crystal structure has been performed to the present time, while…
We study a disordered weakly-coupled superconductor around the Anderson transition by solving numerically the Bogoliubov-de Gennes (BdG) equations in a three dimensional lattice of size up to $20\times20\times20$ in the presence of a random…
Rhombohedral B$_{12}$ unit is viewed as a host matrix embedding linear tri-atomic arrangements of elements (E) resulting in a relatively large family of boron-rich compounds with B$_{12}${E-E-E} generic formulation. The present work focuses…
Heteroepitaxial boron carbide (BxC) can be grown on Si face 4H-SiC(0001) using a two-step process involving substrate boridation at 1200$^\circ$C under BCl3 + H2 followed by a chemical vapor deposition (CVD) growth step at 1600$^\circ$C by…
The structure and physical properties of the Zr-stabilized, nonstoichiometric molybdenum diboride superconductor are reported. Good quality material of the diboride structure type can only be obtained by partial substitution of Zr for Mo,…
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) oxides, such as radiation-tolerant ceramics and Li-ion battery electrodes. In this letter, we use a combination of first-principles…
Two-dimensional electron dispersions with peculiar band crossings provide a platform for realizing topological phases of matter. Here we theoretically show that the $e_g$-orbital manifold of honeycomb-layered transition metal compounds…