相关论文: Phase Diagram of Boron Carbide With Variable Carbo…

Recently low-temperature structural transition has been reported for complex cubic compounds Cd6M (M=Ca, Yb, Y, rare earth) and it is believed that the transition is due to orientational ordering of an atomic shell in the icosahedral…

We adopt a global optimization method to predict two-dimensional (2D) nanostructures through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations, we predict new stable structures of 2D boron-carbon (B-C) compounds…

Substitutional carbon defects in hexagonal boron nitride (hBN) are prominent single photon emitters (SPEs), and their potential for spin activity ($S\geq1$) is particularly intriguing. While studies have largely focused on intra-layer…

A mixture of two types of hard-sphere bosons in a disk-shaped harmonic trap is studied through path-integral quantum Monte Carlo simulation at low temperature. We find that the system can undergo a phase transition to break the spatial…

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…

We study the zero-temperature phase transition of a two-dimensional disordered boson Hubbard model. The phase diagram of this model is constructed in terms of the disorder strength and the chemical potential. Via quantum Monte Carlo…

A grand-canonical system of interacting bosons is considered to study phase transitions of ultracold atoms in an optical lattice. The phase diagram is discussed in terms of a matrix-like order parameter, representing a symmetric phase (Mott…

The electronic properties of boron-nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated by using density functional calculations. Three different configurations are possible: the carbon atoms may replace a line of…

The phase diagram of lattice hard core bosons with nearest-neighbor interactions allowed to vary independently, from repulsive to attractive, along different crystallographic directions, is studied by Quantum Monte Carlo simulations. We…

In this paper we report a theoretical study of the static dipole polarizability of two one-dimensional structures: (a) linear carbon chains C$_{n} (n=2-10)$ and (b) ladder-like planar boron chains B$_{n} (n=4-14)$. The polarizabilities of…

We introduce an inhomogeneous bosonic mixture composed of two kinds of hard-core and semi-hard-core bosons with different nilpotency conditions and demonstrate that in contrast with the standard hard-core Bose-Hubbard model, our bosonic…

Novel superhard materials, especially those with superior thermal and chemical stability, are needed to replace diamond. Carbon nitrides (C-N), which are likely to possess these charac- teristics and have even been expected to be harder…

We theoretically study the structure of a stationary soliton in the polar phase of spin-1 Bose--Einstein condensate in the presence of quadratic Zeeman effect at zero temperature. The phase diagram of such solitons is mapped out by finding…

Boron arsenide (c-BAs) is at the forefront of research on ultrahigh thermal conductivity materials. We present a Raman scattering study of isotopically tailored cubic boron arsenide single crystals for 11 isotopic compositions spanning the…

The phase structure of a two-fluid bosonic system is investigated. The proton-neutron interacting boson model (IBM-2) posesses a rich phase structure involving three control parameters and multiple order parameters. The surfaces of quantum…

Calcite has the ability to host large amounts of intracrystalline inclusions, a phenomenon that is known to be the case in biominerals and has been demonstrated in bio-inspired synthetic systems. In this study, we focused on barium as the…

Boron nitride (BN) is a structurally versatile insulator since it can be found in several crystalline structures with interesting mechanical and electrical properties, making this material attractive for technological applications. Seeking…

Boron carbide is a ceramic material with unique properties widely used in numerous, including armor, applications. Its mechanical properties, mechanism of compression, and limits of stability are of both scientific and practical value.…

A phase diagram for a 2D metal with variable carrier density has been derived. It consists of a normal phase, where the order parameter is absent; a so-called ``abnormal normal'' phase where this parameter is also absent but the mean number…

We use a variational technique to study the many-body phase diagram of electrons and holes in $n$-doped and $p$-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. $i$) A fully spin polarized…