Search results for "Surfaces"
showing 10 items of 2837 documents
Photo-induced magnetic bistability in a controlled assembly of anisotropic coordination nanoparticles.
2011
International audience; Anisotropic coordination nanoparticles of the photomagnetic network Cs(I)(2)Cu(II)(7)[Mo(IV)(CN)(8)](4) are obtained through a surfactant-free high-yield synthetic procedure in water. These particles are organised as Langmuir-Blodgett films with a preferential orientation of the nano-objects within the film that exhibit a magnetic bistability below 20 K with a very large coercivity due to an efficient photo-transformation.
Recrystallization in subsurface zone seen by positron annihilation
2010
Abstract The paper presents studies of the defect distribution, detected by the positron annihilation method in the subsurface zone (SZ) of copper samples after dry sliding wear. It takes advantage of a new experimental technique based on scanning of the positron implantation profile. It allowed us to detect the defect profile in copper to the depth of 200 μm in a nondestructive way and study isochronal annealing behavior of this profile. We determined that annealing induces a recrystallization process which runs faster close to the surface than in deeper regions. After sliding, the complete recrystallization of the substructure takes place at temperature c.a. 600 °C. Some changes in the de…
Novel Carbon Nanotubes Rolled from 6,6,12-Graphyne: Double Dirac Points in 1D Material
2017
Two kinds of novel carbon nanotubes, namely, (N, 0) and (0, N) 6,6,12-graphyne nanotubes (6,6,12-GNTs), are constructed by rolling up the rectangular 6,6,12-graphyne sheets along two different sides into cylinders. The mechanical and electronic properties of 6,6,12-GNTs with varied N from 3 to 20 are investigated by using density functional theory. Unlike the single-wall carbon nanotubes, the Young’s moduli of 6,6,12-GNTs do not remain constant in the case of (N, 0), but the (0, N) tubes possess almost the same one around 0.32 TPa. The band structures and density of states are also exhibited in this work. When the tube sizes N are bigger than four, Dirac points appear at Fermi level in the …
Atomistic simulation of the [001]surface structure in BaTiO3
1997
Abstract We simulate the effect of the surface relaxation on the polarization of the layers of paraelectric phase in the vicinity of the [001] surface in BaTiO 3 in the framework of the shell-model potentials. We observe large polarization of ions in the first two layers of the surface. Our simulations confirm the possibility of existence of Ti- and Ba-containing top layers in [001] BaTiO 3 surfaces.
Band Gap Engineering and Trap Depths of Intrinsic Point Defects in RAlO3 (R = Y, La, Gd, Yb, Lu) Perovskites
2021
The work was supported by the Polish National Science Centre (Project No. 2018/31/B/ST8/00774), by the NATO SPS Project G5647, and by the Ministry of Education and Science of Ukraine (Project DB/Kinetyka no. 0119U002249). L.V. acknowledges support of the National Research Foundation of Ukraine under Grant No. 2020.02/0373 “Crystalline phosphors’ engineering for biomedical applications, energy saving lighting and contactless thermometry”. Researchers from Tartu were supported by the ERDF fundings in Estonia granted to the Centre of Excellence TK141 “Advanced materials and high-technology devices for sustainable energetics, sensorics and nanoelectronics (HiTechDevices)” (Grant No. 2014-2020.4…
Giant piezoelectricity in B/N doped 4,12,2-graphyne
2020
Abstract The effects of boron (B) and nitrogen (N) substitutions in 4,12,2-graphyne on its geometric structure and mechanical as well as electronic properties have been systematically investigated with the aid of density functional theory (DFT). The trend in the elastic properties of the substituted systems is determined by the doping positions and the type of the dopants. The Bader charge analysis reveals that the N dopant at the sp-site destroys the acetylenic linkage in 4,12,2-graphyne, but instead tends to form a polar bond, or even possibly a charge-shift bond. In particular, an obvious in-plane piezoelectricity is induced by foreign atom substitutions owing to the deformation of the p…
An Ising ferromagnet with an antiferromagnetic surface layer: A simple model for magnetic surface reconstruction
1985
Simple cubic Ising lattices are studied by Monte Carlo simulation, using a thin film geometry (usually 40 atomic layers thick), with nearest neighbour ferromagnetic exchange J in the bulk and nearest neighbour antiferromagnetic interaction Js between surface spins. Applying a technique of preferential sampling in the surface layers, we investigate the ordering for a variety of values of JsJ and for various temperatures. For JsAF < Js < − 0.25J (where JsAF ≈ − 2.01J) ferromagnetic ordering occurs at a higher temperature than the antiferromagnetic surface ordering, while for − 0.25J < Js no antiferromagnetic long range order is possible. For Js < JsAF the surface transition occurs at a higher…
Correlating the axial Zero Field Splitting with the slow magnetic relaxation in GdIII SIMs
2021
The field-induced out-of-phase magnetic response of a GdIII complex, selected by its good isolation in the network, has been analyzed and the behaviour of this quasi-isotropic cation has been related to its weak axial zero field splitting ∼0.1 cm-1.
Reconstructed bcc Co films on the surface
2007
Abstract Ultrathin epitaxial Co films on Cr ( 1 1 0 ) are examined by scanning tunneling microscopy and spectroscopy (STM and STS). At room temperature Co grows as pseudomorphic bcc layers for the first two monolayers and forms close-packed Co layers with stacking faults for thicker coverages. A periodic lattice distortion appears in two equivalent (3 × 1) reconstruction domains in combination with a regular lattice of dislocation lines oriented along the in-plane close-packed row directions bcc [ 1 1 ¯ 1 ] and bcc [ 1 ¯ 1 1 ] . The reconstruction and the occurrence of dislocation lines are caused by the epitaxial strain. The local density-of-states function is mapped by scanning tunneling …
Observation of Oriented Close-Packed Lattice Planes in Polycrystalline Hard-Sphere Solids.
1998
We report time-resolved Bragg scattering experiments on solidifying colloidal suspensions of hard spheres. The polar angle-averaged, integrated intensity of the (111) and (311) reflections show a transient, two-step behavior below melting, which depends in a complex way on the volume fraction and is not present for (200) or (220). Detailed analysis of the full two-dimensional scattering pattern reveals intensity maxima of sixfold symmetry close to the position of the (111) and (311) Debye-Scherrer rings. These can be explained assuming oriented crystals with close-packed planes parallel to the container walls. We show that the observed temporal behavior is due to competing homogeneous and h…