Effect of the Surface Relaxation on the Theoretical Equilibrium Shape of Calcite. 1. The [001] Zone

2010 ◽  
Vol 10 (9) ◽  
pp. 4096-4100 ◽  
Author(s):  
Massaro Francesco Roberto ◽  
Bruno Marco ◽  
Aquilano Dino
Keyword(s):  
Equilibrium Shape ◽  
Surface Relaxation

The limits of strain and lattice parameter measurements by CBED

1989 ◽  
Vol 47 ◽  
pp. 518-519
Author(s):  
Hamish L. Fraser
Keyword(s):  
Electron Beam ◽  
Mirror Symmetry ◽  
Local Symmetry ◽  
Lattice Parameter ◽  
Growth Direction ◽  
Surface Relaxation ◽  
Strained Layer ◽  
Axis Parallel ◽  
Local Lattice ◽  
Strained Layer Superlattice

The topic of strain and lattice parameter measurements using CBED is discussed by reference to several examples. In this paper, only one of these examples is referenced because of the limitation of length. In this technique, scattering in the higher order Laue zones is used to determine local lattice parameters. Work (e.g. 1) has concentrated on a model strained-layer superlattice, namely Si/Gex-Si1-x. In bulk samples, the strain is expected to be tetragonal in nature with the unique axis parallel to [100], the growth direction. When CBED patterns are recorded from the alloy epi-layers, the symmetries exhibited by the patterns are not tetragonal, but are in fact distorted from this to lower symmetries. The spatial variation of the distortion close to a strained-layer interface has been assessed. This is most readily noted by consideration of Fig. 1(a-c), which show enlargements of CBED patterns for various locations and compositions of Ge. Thus, Fig. 1(a) was obtained with the electron beam positioned in the center of a 5Ge epilayer and the distortion is consistent with an orthorhombic distortion. When the beam is situated at about 150 nm from the interface, the same part of the CBED pattern is shown in Fig. 1(b); clearly, the symmetry exhibited by the mirror planes in Fig. 1 is broken. Finally, when the electron beam is positioned in the center of a 10Ge epilayer, the CBED pattern yields the result shown in Fig. 1(c). In this case, the break in the mirror symmetry is independent of distance form the heterointerface, as might be expected from the increase in the mismatch between 5 and 10%Ge, i.e. 0.2 to 0.4%, respectively. From computer simulation, Fig.2, the apparent monocline distortion corresponding to the 5Ge epilayer is quantified as a100 = 0.5443 nm, a010 = 0.5429 nm and a001 = 0.5440 nm (all ± 0.0001 nm), and α = β = 90°, γ = 89.96 ± 0.02°. These local symmetry changes are most likely due to surface relaxation phenomena.

AN ELECTROHYDRODYNAMIC ANALYSIS OF THE EQUILIBRIUM SHAPE AND STABILITY OF STRESSED CONDUCTING FLUIDS : APPLICATION TO LMIS

1986 ◽  
Vol 47 (C7) ◽  
pp. C7-351-C7-358
Author(s):  
M. CHUNG ◽  
P. H. CUTLER ◽  
T. E. FEUCHTWANG ◽  
E. KAZES ◽  
N. M. MISKOVSKY
Keyword(s):  
Equilibrium Shape ◽  
Stressed Conducting ◽  
Conducting Fluids

High-Temperature Synthesis of CdSe-Based Core/Shell, Core/Shell/Shell, and Core/Graded-Shell Nanoplatelets for Stable and Efficient Narrowband Emitters

2019 ◽  
Author(s):  
Aurelio A. Rossinelli ◽  
Henar Rojo ◽  
Aniket S. Mule ◽  
Marianne Aellen ◽  
Ario Cocina ◽  
...  
Keyword(s):  
Quantum Dots ◽  
High Temperature ◽  
Equilibrium Shape ◽  
Size Variation ◽  
Crystal Defects ◽  
Atomic Scale ◽  
Quantum Yields ◽  
Core Shell ◽  
Compositional Gradient ◽  
High Quality

<div>Colloidal semiconductor nanoplatelets exhibit exceptionally narrow photoluminescence spectra. This occurs because samples can be synthesized in which all nanoplatelets share the same atomic-scale thickness. As this dimension sets the emission wavelength, inhomogeneous linewidth broadening due to size variation, which is always present in samples of quasi-spherical nanocrystals (quantum dots), is essentially eliminated. Nanoplatelets thus offer improved, spectrally pure emitters for various applications. Unfortunately, due to their non-equilibrium shape, nanoplatelets also suffer from low photo-, chemical, and thermal stability, which limits their use. Moreover, their poor stability hampers the development of efficient synthesis protocols for adding high-quality protective inorganic shells, which are well known to improve the performance of quantum dots. <br></div><div>Herein, we report a general synthesis approach to highly emissive and stable core/shell nanoplatelets with various shell compositions, including CdSe/ZnS, CdSe/CdS/ZnS, CdSe/Cd<sub>x</sub>Zn<sub>1–x</sub>S, and CdSe/ZnSe. Motivated by previous work on quantum dots, we find that slow, high-temperature growth of shells containing a compositional gradient reduces strain-induced crystal defects and minimizes the emission linewidth while maintaining good surface passivation and nanocrystal uniformity. Indeed, our best core/shell nanoplatelets (CdSe/Cd<sub>x</sub>Zn<sub>1–x</sub>S) show photoluminescence quantum yields of 90% with linewidths as low as 56 meV (19.5 nm at 655 nm). To confirm the high quality of our different core/shell nanoplatelets for a specific application, we demonstrate their use as gain media in low-threshold ring lasers. More generally, the ability of our synthesis protocol to engineer high-quality shells can help further improve nanoplatelets for optoelectronic devices.</div>

MODELING THE SOUTH ATLANTIC OCEAN FROM MEDIUM TO HIGH RESOLUTION

2014 ◽  
Vol 31 (2) ◽  
Author(s):  
Mariela Gabioux ◽  
Vladimir Santos da Costa ◽  
Joao Marcos Azevedo Correia de Souza ◽  
Bruna Faria de Oliveira ◽  
Afonso De Moraes Paiva
Keyword(s):  
High Resolution ◽  
Atlantic Ocean ◽  
Large Scale ◽  
South Atlantic ◽  
Surface Relaxation ◽  
The South ◽  
Small Surface ◽  
Basic Model ◽  
Basic Set ◽  
Set Up

Results of the basic model configuration of the REMO project, a Brazilian approach towards operational oceanography, are discussed. This configuration consists basically of a high-resolution eddy-resolving, 1/12 degree model for the Metarea V, nested in a medium-resolution eddy-permitting, 1/4 degree model of the Atlantic Ocean. These simulations performed with HYCOM model, aim for: a) creating a basic set-up for implementation of assimilation techniques leading to ocean prediction; b) the development of hydrodynamics bases for environmental studies; c) providing boundary conditions for regional domains with increased resolution. The 1/4 degree simulation was able to simulate realistic equatorial and south Atlantic large scale circulation, both the wind-driven and the thermohaline components. The high resolution simulation was able to generate mesoscale and represent well the variability pattern within the Metarea V domain. The BC mean transport values were well represented in the southwestern region (between Vitória-Trinidade sea mount and 29S), in contrast to higher latitudes (higher than 30S) where it was slightly underestimated. Important issues for the simulation of the South Atlantic with high resolution are discussed, like the ideal place for boundaries, improvements in the bathymetric representation and the control of bias SST, by the introducing of a small surface relaxation. In order to make a preliminary assessment of the model behavior when submitted to data assimilation, the Cooper & Haines (1996) method was used to extrapolate SSH anomalies fields to deeper layers every 7 days, with encouraging results.

The morphology of α-Al2O3 and α-Fe2O3: The importance of surface relaxation

1987 ◽  
Vol 80 (2) ◽  
pp. 441-446 ◽  
Author(s):  
W.C. Mackrodt ◽  
R.J. Davey ◽  
S.N. Black ◽  
R. Docherty
Keyword(s):  
Surface Relaxation ◽  
Α Al2o3

scholarly journals DFT Study of the Electronic Structure of Cubic-SiC Nanopores with a C-Terminated Surface

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
M. Calvino ◽  
A. Trejo ◽  
M. I. Iturrios ◽  
M. C. Crisóstomo ◽  
Eliel Carvajal ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Density Functional ◽  
Surface Passivation ◽  
Phase Changes ◽  
Surface Relaxation ◽  
Oh Radicals ◽  
Functional Theory ◽  
Band Gap Engineering ◽  
Chemical Surface

A study of the dependence of the electronic structure and energetic stability on the chemical surface passivation of cubic porous silicon carbide (pSiC) was performed using density functional theory (DFT) and the supercell technique. The pores were modeled by removing atoms in the [001] direction to produce a surface chemistry composed of only carbon atoms (C-phase). Changes in the electronic states of the porous structures were studied by using different passivation schemes: one with hydrogen (H) atoms and the others gradually replacing pairs of H atoms with oxygen (O) atoms, fluorine (F) atoms, and hydroxide (OH) radicals. The results indicate that the band gap behavior of the C-phase pSiC depends on the number of passivation agents (other than H) per supercell. The band gap decreased with an increasing number of F, O, or OH radical groups. Furthermore, the influence of the passivation of the pSiC on its surface relaxation and the differences in such parameters as bond lengths, bond angles, and cell volume are compared between all surfaces. The results indicate the possibility of nanostructure band gap engineering based on SiC via surface passivation agents.

Equilibrium Shape of a Liquid Metal Subject to Electromagnetic Forces

2004 ◽  
Vol 40 (2) ◽  
pp. 585-588 ◽  
Author(s):  
R. Moretti ◽  
S. Dufour ◽  
G. Vinsard ◽  
B. Laporte
Keyword(s):  
Liquid Metal ◽  
Equilibrium Shape ◽  
Electromagnetic Forces

scholarly journals Equilibrium shape and dislocation nucleation in strained epitaxial nanoislands

2005 ◽  
Vol 72 (8) ◽  
Author(s):  
J. Jalkanen ◽  
O. Trushin ◽  
E. Granato ◽  
S. C. Ying ◽  
T. Ala-Nissila
Keyword(s):  
Equilibrium Shape ◽  
Dislocation Nucleation
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