相关论文: Theoretical study on RbCl crystal with M\"{o}bius …
In-plane electrical transport properties of MgB2 single crystals grown under high pressure of 4-6 GPa and temperature of 1400-1700oC in Mg-B-N system have been measured. For all specimens we found sharp superconducting transition around…
To study channeling radiation produced by an ultra-relativistic electron beam channeling through a single crystal, a lattice potential of the crystal is required for solving the transverse motion of beam electrons under the influence of the…
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…
X-ray diffraction experiments under pressure in a diamond anvil cell have been performed to gauge any response of the crystalline lattice of URu2Si2 to the "hidden order" or antiferromagnetic transitions, the latter of which is accessible…
Single crystals of MgCNi$_3$, with areas sized up to 1 mm$^{2}$, were grown by the self flux method using a cubic anvil high pressure technique. The first critical field \textit{H$_{c1}$}, determined from a zero temperature extrapolation,…
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase transformations where there exist some large discrepancies…
Single crystals of RbOs2O6 have been grown from Rb2O and Os in sealed quartz ampoules. The crystal structure has been identified at room temperature as cubic with the lattice constant a = 10.1242(12) A. The anisotropy of the tetrahedral and…
The critical properties of the spin-1 two-dimensional Blume-Capel model on directed and undi- rected random lattices with quenched connectivity disorder is studied through Monte Carlo simulations. The critical temperature, as well as the…
The lattice parameters of MgB2 up to pressures of 8 GPa were determined using high-resolution x-ray powder diffraction in a diamond anvil cell. The bulk modulus, B0, was determined to be 151 +-5 GPa. Both experimental and first-principles…
The compound LiAl_yTi_(2-y)O_4 undergoes a metal-to-insulator transition for y_c ~0 .33. This system, in the absence of strong electronic correlations, is a prototypical example of quantum site percolation. However, it is known that the…
Aims. This work reports radiative transition rates and electron impact excitation collision strengths for levels of the 3s23p, 3s3p2, 3s24s, and 3s23d configurations of Siii. Methods. The radiative data were computed using the…
It is a long-time pursuit of computations with \emph{ab initio} precision of thermal contributions to phase behaviors of condensed matters under extreme conditions. In this work, the pressure induced structural phase transitions of…
We present reversible magnetization measurements on MgB2 single crystals in magnetic fields up to 2.5 T applied parallel to the crystal's c-axis. This magnetization is analyzed in terms of the Hao-Clem model, and various superconducting…
Ab initio linear-response calculations are reported of the phonon spectra and the electron-phonon interaction for several transition metal carbides and nitrides in a NaCl-type structure. For NbC, the kinetic, optical, and superconducting…
We use Monte Carlo techniques and analytical methods to study the phase diagram of the M--component Widom-Rowlinson model on the bcc-lattice: there are M species all with the same fugacity z and a nearest neighbor hard core exclusion…
Recently, Mun et.al. (Phys. Rev. Lett., 76, 2790 (1996)) have published their results on single crystal YNi_2B_2C, claiming that their experimental observations can be explained in terms of formation of Vortex Glass and Lattice melting. Our…
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range…
Bulk polycrystalline NbC samples are synthesized through solid state reaction route in an evacuated sealed quartz tube. Studied NbC samples are crystallized in NaCl-type cubic structure with space group Fm-3m. To control cell parameters and…
We present a tight-binding potential based on the moment expansion of the density of states, which includes up to the fifth moment. The potential is fitted to bcc and hcp Zr and it is applied to the computation of vibrational properties of…
Ab initio detailed calculations of the elastic properties of AgCl_{x}Br_{1-x} alloys recently appeared using density-functional perturbation theory and employing the virtual crystal approximation or by means of the full potential linearized…