Anharmonic effects on B2-FeAl(1 1 0) surface: A molecular dynamics study

Using molecular dynamics simulations and the analytic embedded-atom method (AEAM), the surface anharmonicity of B2-FeAl(1 1 0) has been studied in the temperature range from 0 K to 1400 K. The temperature dependence of the interlayer spacing, mean square vibrational amplitudes, surface phonon frequencies and line-widths, and layer structure factor have been calculated. The obtained results indicate that the anharmonic effects are small in the temperature range from 0 K to 900 K. The temperature dependences of the interlayer spacing indicates that the rippling effect of the B2-FeAl(1 1 0) surface is exhibited by the contraction of Fe surface atoms and the expansion of Al atoms, which persists at high temperatures. The temperature dependence of the layer structure factors shows that the B2-FeAl(1 1 0) surface does not disorder until the temperature of 1300 K.     

Periodic saddle-splay Freedericksz transition in nematic liquid crystals

By use of a local stability criterion recently introduced, we predict the existence of a periodic saddle-splay Freedericksz (PSSF) transition that adds to the existing class of classical Freedericksz transitions driven in a nematic cell by an external field. Occurrence of the PSSF transition requires a saddle-splay elastic constant with a large enough magnitude and different anchoring strengths at the plates confining the nematic cell. Otherwise, either the PSSF transition does not occur at all, or it requires a field higher than that associated with the classical aperiodic splay Freedericksz (ASF) transition, in which case it is not observable. Here, we determine the threshold field for which the PSSF precedes the ASF transition, as well as the structure of the destabilizing mode.     

Effect of Co layer thickness on structural and magnetic properties of C/Co/C films

Granular C/Co/C films have been prepared by magnetron sputtering from C and Co onto glass substrates at room temperature and subsequent in situ annealing. It has been found that the structure and magnetic properties of the C/Co/C films depend strongly on the Co layer thickness. Vibrating sample magnetometer measurements indicate that the in-plane coercivities reach maximum in 20 nm Co thickness of both as-deposited and annealed films. The squareness ratio of annealed films was more than 0.8. X-ray diffraction shows that majority Co nanograins are formed as the hexagonal-close-packed (HCP) structure in 20 nm Co thickness with annealing at 400 °C. Scanning probe microscope was used to scan surface morphology and magnetic domain structures. The values of the surface roughness were lower than 0.6 nm in all annealed samples. The average magnetic cluster size was estimated to be about 10 nm in annealed 20 nm Co thickness films.     

Waveguide CO2 lasers on sequence-band transitions

Two waveguide CO₂ lasers, a quartz waveguide and an alumina waveguide, have been studied on the 00°2–[10°l,02°1]_I,II sequence bands. The use of an intra-cavity hot CO₂ cell, which is a part of the waveguide, suppresses the regular-band transitions. The quartz waveguide laser has a total of 58 lines lasing on both the 9.4 µm and 10.4 µ,m sequence bands. The alumina waveguide laser has 36 lines lasing on the 10.4 µm sequence band and twice the output power of the quartz waveguide laser, whereas lasing on the 9.4 µm sequence band is difficult. The lasers can be operated on the selected single line without line jumping problem. The frequency tuning range of the strong lines is limited by the free spectral range of the cavity.     

Magnetic properties and specific heat of Dy1−xLaxNi2 compounds

Magnetic and specific heat measurements have been carried out on polycrystalline series of single-phase Dy_1−xLa_xNi₂ (0?x?1) solid solutions. The compounds have a Laves-phase superstructure (space group F4¯3m) with the lattice parameter gradually increasing with decreasing Dy content. The samples with x?0.8 are ferromagnetic with the Curie temperature below 22 K. At high temperatures, all solid solutions are Curie-Weiss paramagnets. The Debye temperature, phonon and conduction electron contributions as well as a magnetic contribution to the heat capacity have been determined from specific heat measurements. The magnetocaloric effect was estimated from specific heat measurements performed in a magnetic field of 0.42 and 4.2 T.     

Theoretical study of CuxAg1−xI alloys

We have performed first-principles calculations using full potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT) to investigate the fundamental properties of Cu_xAg_1−xI alloys. We used both GGA96 [J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.] and EVGGA [E. Engel, S.H. Vosko, Phys. Rev. B. 47 (1993) 13164.] generalized gradient approximations of the exchange-correlation energy that are based on the optimization of total energy and corresponding potential. Quantities such as lattice constants, bulk modulus, band gap, density of occupied states and effective mass were calculated as a function of copper molar fraction x. These parameters were found to depend non-linearly on alloy composition x, except the lattice parameter, which follows Vegard's law. The microscopic origins of the gap bowing were explained using the approach of Zunger and co-workers; we have concluded that the band-gap energy bowing was mainly caused by the chemical charge-transfer effect and the volume deformation , while the structural relaxation contribute to the gap bowing parameter at smaller magnitude. The calculated phase diagram shows a broad miscibility gap for this alloy with a high critical temperature.     

X-ray diffraction characterization of a spatially coherent crystalline nanocomposite obtained from a melt of KCl, KBr and KI salts

Crystalline bulks, obtained by the Bridgman technique from a melt that was previously prepared by mixing equal molar fractions of the salts KBr, KCl and KI were characterized by powder and single-plate X-ray diffraction. The crystalline bulks are formed by a composite material consisting of a highly textured aggregation of crystallites of two different face-centred-cubic solid solutions with corresponding unit-cell sizes of 7.020(2) and 6.456(3) Å. The relative molar fraction concentrations of these solid solutions in the composite are about 0.348 and 0.652, respectively. From these solutions, the first is identified as the binary KBr(9.7%):KI(90.3%) mixed phase and the second is discussed to be the ternary KBr (45.9%):KCl (51.1%):KI (3.0%) mixed phase. The lattices of most of the crystallites forming the composite, no matter the phase they belong to, are spatially coherent to each other within the crystalline bulk.     

Structure and magnetic phase diagram of mixed rare-earth Nd1−xTbxFe10.5Mo1.5 compounds

The structural and magnetic properties of Nd_1−xTb_xFe_10.5Mo_1.5 (x=0$x=0$, 0.2, 0.4, 0.6, 0.8, 1.0) compounds have been investigated by means of X-ray diffraction and magnetic measurements. All the investigated compounds crystallize in the tetragonal ThMn₁₂-type structure with I4/mmm space group. The lattice parameters a, c and the unit-cell volume V decrease with increasing x. The Curie temperatures T_C are almost independent x. There exists a unique spin-reorientation transition for the end compositions of Nd_1−xTb_xFe_10.5Mo_1.5 compounds with x=0$x=0$ and x=1$x=1$, while two spin-reorientation transitions are observed for x=0.2–0.8$x=0.2–0.8$. The room-temperature magnetocrystalline anisotropy of Nd_1−xTb_xFe_10.5Mo_1.5 compounds changes from uniaxial to planar with increasing x content. Based on magnetic measurements, a magnetic phase diagram of Nd_1−xTb_xFe_10.5Mo_1.5 compounds is constructed. By minimizing the magnetocrystalline anisotropy energy, a theoretical magnetic phase diagram for the Nd_1−xTb_xFe_10.5Mo_1.5 system is derived, showing a reasonable agreement with the observations.     

Lensing effects in a nematic liquid crystal with topological defects

Light traveling through a liquid crystal with disclinations perceives a geometrical background which causes lensing effects similar to the ones predicted for cosmic objects like global monopoles and cosmic strings. In this paper we explore the effective geometry as perceived by light in such media. The comparison between both systems suggests that experiments can be done in the laboratory to simulate optical properties, like gravitational lensing, of cosmic objects.     

Energetics of 2D colloids in free-standing smectic-C films

The formation of regular colloid patterns in free-standing smectic films at the transition from the smectic-C to the isotropic or nematic phase is well known experimentally. The self-organization of isotropic or nematic droplets is caused by their mutual interaction, mediated by elastic distortions of the local director in the surrounding liquid crystal. These distortions are related to the anchoring conditions of the director at the droplet border. We describe analytically the energetics of the liquid crystal environment of a single droplet in one-constant approximation. A method of complex analysis, Conformal Mapping, is employed. Following a suggestion of Dolganov et al. (Phys. Rev. E. 73, 041706 (2006)), energetics of chain and grid patterns built from the colloids are investigated numerically in order to explain experimentally observed formations and their director fields.