Theoretical studies of ultrathin film-induced faceting on W(111) surfaces

We have used local volume (or EAM) potentials to study the pyramidal faceting (or reconstruction) of a W(111) surface induced by face center cubic (fcc) metals Pd, Pt, Au, and a body center cubic (bcc) metal Mo. We found that the surface-energy differences of (211) and (111) surfaces of bcc W increases as one or few monolayers of Pd, Pt, Au, and Mo films are deposited. We found that the lateral relaxation which is allowed on the (211) surface further increases the surface energy anisotropy as the thickness of the fcc metal film increases. Our calculated results are consistent with the argument that the surface energy anisotropy is the driving force for the faceting, but do not rule out three-dimensional (3D) island growth as another possible mechanism for the (211) faceting. We also found that there is a possible bilayer growth mode in W(211) surfaces with Pt and Pd films.     

Nanocrystal formation and faceting instability in Al(110) homoepitaxy: true upward adatom diffusion at step edges and island corners

Using atomic force microscopy and spot-profile analyzing low energy electron diffraction, we have observed the existence of a striking faceting instability in Al(110) homoepitaxy, characterized by the formation of nanocrystals with well-defined facets. These hut-shaped nanocrystals are over tenfold higher than the total film coverage, and coexist in a bimodal growth mode with much shallower and more populous surface mounds. We further use density functional theory calculations to elucidate the microscopic origin of the faceting instability, induced by surprisingly low activation barriers for adatom ascent at step edges and island corners.     

Surface energy anisotropy of iridium

Field-ion microscopy was used to study the faceting behavior and surface energy anisotropy of iridium in vacuum and in hydrogen. In vacuum below approximately 1300 K the order of faceting and the activation energy for growth of {111} facets agreed with previously published results of FIM studies. The unexpected faceting behavior of {210} planes was examined in terms of the geometry of field evaporated specimens. The observed anisotropy at temperatures above 1300 K was in qualitative agreement with Morse and Mie potential calculations and in nearly quantitative agreement with the pairwise bonding model using σ₂ = 0.4, σ₃ = 0.2. The observed maximum anisotropy of 8.8% for iridium at 1360 K fell within the range of extrapolated values for other metals at one-half the absolute melting temperature. Hydrogen appeared to lower the surface energy of each plane by only about 0.1%. An anisotropic effect of hydrogen on the faceting behavior, however, was observed and suggested that surface diffusion rates in {110} and {311} regions were preferentially increased in the presence of hydrogen.     

Sawtooth faceting in silicon nanowires

We observe in situ the vapor-liquid-solid (VLS) growth of Si nanowires, in UHV-CVD using Au catalyst. The nanowire sidewalls exhibit periodic sawtooth faceting, reflecting an oscillatory growth process. We interpret the facet alternation as resulting from the interplay of the geometry and surface energies of the wire and liquid droplet. Such faceting may be present in any VLS growth system in which there are no stable orientations parallel to the growth direction. The sawtooth structure has important implications for electronic mobility and scattering in nanowire devices.     

Relationship between the Faceting of Crystals and Their Formation Mechanism

Doklady Physics - The observed occurrence of nano- and microcrystals without faceting in low-temperature processes of their formation may be due to the nonclassical mechanism of crystal growth by...     

Variations in shapes of outgrowths on a tungsten tip during growth in an electric field

Continuous-mode field-desorption microscopy was used to study the shape of thermal-field outgrowths on the (001) face of a tungsten tip. It is shown that the shape and faceting of the lateral surface of an outgrowth change with its height, which can be explained by reconstruction of the lateral surface of the outgrowth due to a gradual decrease in the field intensity in the bottom part of the outgrowth during its growth. The reconstruction occurs because, at high field intensity, the shape and faceting are determined by the kinetics of growth, whereas at low field intensity they are determined by the minimum free energy.     

Faceting of sapphire crystals grown from a melt by the Stepanov method

The appearance of faces on cylindrical sapphire single crystals grown from a melt by the Stepanov method is studied by photogoniography and optical microscopy. The crystallographic indices of the detected faces are established, and the microstructure of the growth layers is investigated. A relationship between the faceting and the growth conditions is found. The experimental results are compared with data on the faceting of the sapphire crystals grown from a solution-melt and with the calculated specific free surface energies of the faces.     

Devil's staircase-type faceting of a cubic lyotropic liquid crystal

The faceting of monocrystals of the lyotropic cubic liquid crystals in equilibrium with a humid atmosphere is observed. Experiments reveal the presence of more than 60 different types of facets on the surface of a spherical crystal of radius R = 1 mm. The devil's staircase type of faceting has been predicted theoretically when the interaction between steps on the crystal surface is repulsive.     

Modeling snow crystal growth II: A mesoscopic lattice map with plausible dynamics

We present a local lattice model for the evolution of snow crystals that combines diffusion-limited aggregation with anisotropic attachment kinetics and an idealized quasi-liquid layer. Despite a voluminous modeling literature, this is apparently the first approach that successfully captures the essential form of core and tip instabilities, branch faceting, and other aspects of real snow crystal growth. As parameters are varied, our nearest neighbor system reproduces the basic features of most of the observed varieties of planar snowflakes and offers new insights into their genesis.     

Thermal faceting of (110) and (111) surfaces of MgO

Using LEED, we have observed the thermal faceting of MgO (110) and (111) surfaces into sets of (100) faces. Some faceting occurs under ion bombardment at room temperature, and annealing at 900–1400 K by means of electron bombardment produces complete faceting, with facets up to 1 μm across. These observations are consistent with theories of the stability of ionic crystal surfaces.     

Growth and thermal stability of ultra-thin Ag and Au layers on Mo(1 1 1) surface

The influence of temperature on the growth process of ultra-thin Ag and Au layers on the Mo(1 1 1) surface was investigated. At 300 K growth of the Stranski-Krastanov type was found for Ag; for Au growth of the monolayer plus simultaneous multilayers type was found, where a base layer is one physical layer. The first three geometrical adsorbed layers for Ag are thermally stable. For annealed Au layers triangle features with base side length from 15 to 35 Å were formed for θ < 6 monolayer (ML), and for θ > 6 ML part of the Au formed a flat adlayer with Au atoms grouped in equilateral triangles with side length 7 Å. The presence of Au layers does not cause faceting, layers are not smooth which could be caused by the fact that Au does not wets the substrate. For Ag thick layers reversible wetting/non-wetting transition was observed at 600 K. Ag layers on Mo(1 1 1) surface did not lead to faceting.     

The dynamical behavior of periodic surface profiles on metals under the influence of anisotropic surface energy

The kinetics of shaping of periodic surface profiles under the action of surface selfdiffusion were calculated for the special case of anisotropic surface energy. The orientation-dependent surface energy was allowed to contain a local minimum of very high curvature (cusp). The orientation of this cusp was equal to the macroscopic orientation of the crystal surface. The periodic surface profiles exhibited in all cases extended, nearly flat regions centered at the cusp orientation. This type of faceting which causes the profile to be trapezoidal in shape agrees well with experimentally observed profiles on (111) and (100) Ni single crystal surfaces. A procedure is outlined by which the orientation-dependent surface energy along a certain azimuth and the surface self-diffusion coefficient can be extracted from the decay kinetics of faceted periodic surface profiles. This procedure demands the accurate experimental assessment of profile shapes and amplitudes.     

Reverse roughening transition in carbon dioxide

We report the observation of a roughening transition in carbon dioxide along the melting line of phase I, which we call reverse as faceting appears with increasing temperature. The characteristics of the transition are discussed in light of modern theories of roughening and the causes of its reverse behavior investigated. We propose that high temperature faceting is related to a pressure-induced increase of the surface stiffness.     

Growth and thermal stability of Fe, Ni, Rh and Pd layers on the (111)W crystal face

LEED, AES and Δφ measurements were used to investigate the growth of Fe, Ni, Rh and Pd layers on the tungsten (111) surface. The thermal stabilities of the layers and of the substrate were also examined. Both were found to be thermally unstable at coverages above one monolayer. In addition, Rh and Pd were found to cause faceting of the substrate surface. In thick Fe layers, a non-wetting-wetting transition was observed.     

A LEED study of UO2(∼100) vicinal surfaces

The ordering and faceting properties of UO₂(～100) vicinal surfaces have been studied via LEED and Auger measurements. The measurements have demonstrated a reduced tendency for step ordering on UO₂(～100) vicinal surfaces when compared to step ordering on UO₂(～111) vicinal surfaces. The UO₂(～100) vicinal surfaces were observed to decompose irreversibly into low-index facets, including prominent (100) facets, at temperatures below those needed for creation of lowest index faceting on UO₂(～111) vicinal surfaces. These properties suggest that (100) terraces, in contrast to (111) terraces, act as surface diffusion barriers that limit longrange surface communication while growing at the expense of intermediate faceting stages.     

From bell shapes to pyramids: A reduced continuum model for self-assembled quantum dot growth

A continuum model for the growth of self-assembled quantum dots that incorporates surface diffusion, an elastically deformable substrate, wetting interactions and anisotropic surface energy is presented. Using a small slope approximation a thin-film equation for the surface profile that describes faceted growth is derived. A linear stability analysis shows that anisotropy acts to destabilize the surface. It lowers the critical height of flat films and there exists an anisotropy strength above which all thicknesses are unstable. A numerical algorithm based on spectral differentiation is presented and simulations are carried out. These clearly show faceting of the growing islands and a power law coarsening behavior.     

“Rotating” steps in Si(0 0 1) homoepitaxy

Steps on Si(0 0 1) surfaces which are initially not aligned along the high symmetry directions of the dimer reconstruction are observed, by scanning tunneling microscopy, to “rotate” toward [1 1 0] directions during Si growth. This step “rotation” occurs due to a faceting of the step edges. A theoretical analysis of adatom incorporation into the steps shows that this kinetic instability may be caused by a suppressed mobility of the growing species along the S_A step edge.     

Oxidation and faceting of polycrystalline tungsten ribbons

We have measured the oxidation rate of tungsten and the evaporation rate of tungsten oxide in the temperature range from 900 to 1200 K at an oxygen pressure from 5 × 10^?4 to 5 × 10^?3 Torr. The oxidation rate increases steadily with coverage in the whole range studied. The evaporation rate decreases at high pressure and is strongly dependent on the initial conditions of the experiments. These kinetic measurements support a qualitative model of oxidation. The surface is composed of oxide islands surrounded by oxide-free regions covered only by chemisorbed oxygen atoms. On the bare regions beside the chemisorbed oxygen atoms we suppose the existence of a dilute chemisorbed oxide layer which can either enter the condensed oxide phase or evaporate. The number of the growing islands is set up at the beginning of the reaction and does not increase further. This model, consistent with kinetic results during oxidation, has been proposed first to explain results obtained by Auger electron spectroscopy and thermal desorption spectroscopy under vacuum. Faceting is particularly important in the early stages of the experiment because it can hinder the nucleation of the oxide which is a necessary step for growth. In a narrow range of temperature and oxygen pressure this inhibited nucleation leads to an enhanced evaporation rate so that the growth rate is lower. Recording this growth rate allows us to follow faceting. The parameters studied are the oxygen coverage and the temperature, experimental results are in agreement with LEED and RHEED results. Reconstruction and faceting are discussed and are believed to be caused by a smoothing of the surface during the chemisorption step.     

Oxygen induced reconstruction of (h11) and (100) faces of copper

A LEED and AES study on oxygen adsorption on Cu(100) and (h11) faces with 5 h 15 has been performed under various adsorption conditions (220 K T 670 K and 1 × 10⁻⁸ P 6 × 10⁻⁵ Torr of oxygen). The dependence of adsorption temp on the oxygen surface superstructures is pointed out. At least, three oxygen surface states exist on a Cu(100) face. For low temperature exposures to oxygen, under conditions of slow surface diffusion, on the (100) face, two oxygen surface phases exist: a “four spots” and a c(2 × 2) superstructure, both observed even at saturation coverage; on all the stepped faces, a c(2 × 2) appears and no faceting is observed. For high temperature exposures, on the (100) face, two oxygen superstructures are observed, a “four spots” followed by a (2√2 × √2)R45° at higher coverages; on all the stepped faces, surface diffusion is activated and oxygen induced faceting occurs. The appearance of faceting is associated with the onset of the formation of the (2√2 × √2)R45° structure on the (100) face. The oxygen induced faceting and the oxygen surface meshes are reversible with coverages. At saturation coverage, a non-reversible surface transition between the c(2 × 2) and (2√2 × √2)R45° superstructures is observed at 420 ± 20 K. The importance of impurity traces on the surface meshes is emphasized. Oxygen coverage at saturation is independent of the studied faces and adsorption temperature. Faceting occurs at a critical coverage value, whatever the stepped faces and adsorption temperature are. Models of the oxygen structure on the (h10) stepped faces are discussed.     

一种新的量子点形成机制:表面原子的向上扩散运动

在Al(110)表面的同质外延生长中，实验上观察到许多由特殊小面围成的较大的量子点．这些长方盒形的量子点要比外延膜的平均厚度至少高十倍以上，密度泛函理论的研究发现，动力学过程是导致形成具有特定小面量子点的主要原因，其关键机制是表面原子的向上扩散运动。