Search results for "layer"
showing 10 items of 2667 documents
A grand ensemble Monte Carlo study of metal adsorption on a (110) bcc substrate
1992
Abstract The multilayer adsorption of a metal on a (110) bcc substrate has been studied by a grand-canonical Monte Carlo simulation in continuous, three-dimensional space. The obtained values of the critical parameters are compared with the results of a similar 2D Monte Carlo calculation and are interpreted in the spirit of the theory of Asada. A sharp transition from monolayer to multilayer adsorption is observed. The transition is accompanied by a substantial structural rearrangement in the adlayers immediately at the substrate. Generally it appears that the inclusion of the third dimension in the simulation reveals some important features of the phase transition and of the structure of t…
Dipolar order and disorder phenomena in pure CO and dilute (CO)1−x(Ar)x mixtures physisorbed on graphite
1999
Abstract A detailed heat capacity study has been performed to characterize the properties of pure CO and (CO) 1− x (Ar) x mixture films physisorbed on the basal planes of graphite. The phase diagram of CO monolayers will be presented. At T c =5.18 K a phase transition to a novel low temperature phase is found with head-tail (dipolar) order of the molecules in an orientationally ordered herringbone structure. The phase transition is shown to belong to the 2D Ising universality class with anisotropic interactions between the molecules. Diluting CO weakly with Ar impurities leads to a dramatic destruction of the phase transition. This effect can be quantitatively described by the 2D random fie…
N2monolayers physisorbed on graphite: the herringbone transition revisited
1994
Monte Carlo simulations were undertaken of the orientational herringbone phase transition of N2 adsorbed on graphite in the complete monolayer (✓3 × ✓3) R30° structure. The non-universal aspects (c...
On the commensurate–incommensurate transition in adsorbed monolayers
1999
Abstract A Monte Carlo simulation method is used to study the commensurate–incommensurate phase transition in monolayers and the formation of bilayer films on the (100) face of an fcc crystal. The phase diagram for the system which forms the registered (1×1) and high density incommensurate phases in the monolayer has been determined. It is shown that the registered phase undergoes the transition to a denser incommensurate solid phase when the film density increases. The mechanism of melting of the monolayer film is found to depend on the film density. In particular, the melting of dense incommensurate solid monolayer film is found to be accompanied by the transfer of adsorbed molecules into…
Phase Transitions in Dense Lipid Monolayers Grafted to a Surface: Monte Carlo Investigation of a Coarse-Grained Off-Lattice Model
1996
Semiflexible amphiphilic molecules end-grafted at a flat surface are modeled by a bead-spring chain with stiff bond angle potentials. Constant density Monte Carlo simulations are performed varying temperature, density, and chain length of the molecules, whose effective monomers interact with Lennard-Jones potentials. For not too large densities and low temperatures the monolayer is in a quasi-two-dimensional crystalline state, characterized by uniform tilt of the (stretched) chains. Raising the temperature causes a second-order transition into a (still solid) phase with no tilt. For the first time, finite size scaling concepts are applied to a model of a surfactant monolayer, and it is foun…
Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions
2020
The authors acknowledge the assistance of the University Computer Center of Saint-Petersburg State University in the accomplishment of high-performance computations. A.K. is grateful to the Latvian Council of Science project no. lzp-2018/2-0353 for financial support. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.
Morphology and magnetism of Fe on vicinal W(110) surfaces with different step orientation
2000
Abstract Nanostructures of monolayer height of single-crystalline Fe(1 1 0) films were grown on stepped W(1 1 0) surfaces. The growth mode strongly depends on the step orientation of the substrate. Continuous stripes are formed at steps along the [1 0 0] direction whereas triangular shaped islands grow on substrates with [1 −1 0]-oriented step edges. No ferromagnetic order was found in submonolayer films grown on [1 −1 0]-steps. The nanostripe array on [1 0 0] steps shows a ferromagnetic phase-transition with a critical behavior different from the Ising-like phase transition observed for submonolayer films grown on smooth W(1 1 0). The magnetic easy axis in the samples is oriented parallel …
Dipolar superferromagnetism in monolayer nanostripes of Fe(110) on vicinal W(110) surfaces
1998
By epitaxial growth of Fe on a vicinal W~110! substrate, densely spaced and continuous monolayer stripes of Fe~110! were prepared, directed along @001#. They exhibit a sharp phase transition to ferromagnetic order, free from relaxations. The magnetic easy axis is in the plane, but along @110# that means across the stripes. This cross magnetization induces ferromagnetic dipolar coupling between the spin blocks in adjacent stripes, which are preformed by exchange interactions. The resulting superferromagnetic phase transition is therefore driven by dipolar interactions. @S0163-1829~98!52002-4#
Formation of Layers of Diverse Stoichiometric and Phase Composition in Lithium Tantalate Crystals at Treatment by Vapour Transport Equilibration
2012
Layers from tens to hundreds of microns thick of a different phase composition and stoichiometry are shown to form in lithium tantalate crystals subjected to treatment by vapor transport equilibration in lithium vapour. The 500 microns thick stoichiometric (Li/Ta ≈ 1) layers have ten times lower values of the coercive field compared with congruent lithium tantalate. As electrical measurements suggest, a new polar structure of phase transition at ∼120°C is possibly formed within a thin (30 μm) surface layer of the lithium tantalate sample after vapour transport equilibration treatment.
Phase Transition of Individually Addressable Microstructured Membranes Visualized by Imaging Ellipsometry
2007
The phase transition of individually addressable microstructured lipid bilayers was investigated by means of imaging ellipsometry. Microstructured bilayers were created on silicon substrates by micromolding in capillaries, and the thermotropic behavior of various saturated diacyl phosphatidylcholine (1,2-dipalmitoyl-sn-glycero-3-phosphocholine, 1,2-dipentadecoyl-sn-glycero-3-phosphocholine, and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC)) bilayers as well as DMPC/cholesterol membranes was determined by measuring the area expansion and thickness of the bilayer as a function of temperature. We found an increase in the main phase transition temperature T(M) of 2-6 degrees C and a substa…