Correlations Between Grain Boundary Structure and Energy

1991 ◽  
Vol 229 ◽  
Author(s):  
K. L. Merkle ◽  
D. Wolf

AbstractHigh-resolution electron-microscopy (HREM) and computer simulations of <110> tilt grain boundaries (GBs) in Au are used to investigate correlations between atomic-scale GB structure and energy. The energies calculated for a variety of symmetric and asymmetric GBs suggest that asymmetric GB-plane orientations are often preferred over symmetric ones. The experimentally observed faceting behavior agrees with the computed energies. Computer simulations indicate general interrelations between GB energy and (i) volume expansion and (ii) the number of broken bonds per unit area of GB. These atomic-scale microstructural GB parameters, as evaluated from HREM observations, are compared to simulation results.

2005 ◽  
Vol 475-479 ◽  
pp. 1673-1676 ◽  
Author(s):  
Isamu Kuchiwaki ◽  
Takahiro Hirabayashi ◽  
Hiroshi Fukushima

Cast polycrystalline silicon for solar cell contains mostly straight twin boundaries which are thought to have little effect on the electrical activity. There are, however, some complicated grain boundaries in it. One of these boundaries consists of slightly curved and straight parts. The structure of this boundary was analyzed to investigate the difference of these two types of boundaries. The conventional transmission electron microscopy (TEM) found that this slightly curved boundary was the zigzag shaped boundary made by (11 _ ,2) and ( _ ,211) planes. High resolution electron microscopy (HREM) confirmed that (11 _ ,2) plane was the boundary of {112} Σ3 twin boundary which formed a straight grain boundary at the other end of the analyzed grain boundary, and also confirmed that ( _ ,2 11) plane was also the boundary of {112} Σ3 twin boundary which intersected with the former twin boundary at an angle of 120 [deg].


1998 ◽  
Vol 13 (12) ◽  
pp. 3449-3452 ◽  
Author(s):  
Takahisa Yamamoto ◽  
Yuichi Ikuhara ◽  
Katsuro Hayashi ◽  
Taketo Sakuma

Grain boundary structure was examined in 0.1 mol% TiO2-excess BaTiO3 by high-resolution electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS). Their grain boundaries were mostly faceted with {210} type habit. The faceted boundaries were characterized to be associated with an extra Ti–O2 bond with the rutile-like structure. The grain growth behavior in a small TiO2-excess BaTiO3 is discussed from the viewpoint of grain boundary structure.


1998 ◽  
Vol 13 (2) ◽  
pp. 446-450 ◽  
Author(s):  
Zenji Horita ◽  
David J. Smith ◽  
Minoru Nemoto ◽  
Ruslan Z. Valiev ◽  
Terence G. Langdon

Submicrometer-grained (SMG) structures were produced in Cu and Ni using an intense plastic straining technique, and the grain boundaries and their vicinities were observed by high-resolution electron microscopy. The grain boundaries exhibited zigzag configurations with irregular arrangements of facets and steps, and thus they were found to be in a high-energy nonequilibrium state. A similar conclusion was reached earlier for SMG Al–Mg solid solution alloys which have much lower melting points than Cu and Ni, suggesting that nonequilibrium grain boundaries are a typical feature of metals processed by intense plastic straining.


Author(s):  
M. I. Buckett ◽  
K. L. Merkle

With the advances in instrumentation and the capability of point-to-point resolution better than 0.2 nm, high resolution electron microscopy (HREM) is becoming more widely used for the quantitative study of both surfaces and internal interfaces. The elegance of the technique lies in its ability to deduce atomic-scale information on a localized scale. Without the proper analysis, however, HREM images can easily be misinterpreted. We investigate the considerations necessary for quantification of HREM images, using the measurement of the grain boundary volume expansion via the lattice fringe displacement technique as an example. The volume expansion, a parameter directly related to the grain boundary energy, is measured (in length units on the order of tenths of Å) as a rigid body translation normal to the boundary. It can be determined experimentally using statistical techniques which locate and fit the peak and valley positions in an experimental HREM image such that a direct measurement of the lattice fringe displacements is made.


Author(s):  
D. Cherns

The use of high resolution electron microscopy (HREM) to determine the atomic structure of grain boundaries and interfaces is a topic of great current interest. Grain boundary structure has been considered for many years as central to an understanding of the mechanical and transport properties of materials. Some more recent attention has focussed on the atomic structures of metalsemiconductor interfaces which are believed to control electrical properties of contacts. The atomic structures of interfaces in semiconductor or metal multilayers is an area of growing interest for understanding the unusual electrical or mechanical properties which these new materials possess. However, although the point-to-point resolutions of currently available HREMs, ∼2-3Å, appear sufficient to solve many of these problems, few atomic models of grain boundaries and interfaces have been derived. Moreover, with a new generation of 300-400kV instruments promising resolutions in the 1.6-2.0 Å range, and resolutions better than 1.5Å expected from specialist instruments, it is an appropriate time to consider the usefulness of HREM for interface studies.


Author(s):  
David J. Smith

The era of atomic-resolution electron microscopy has finally arrived. In virtually all inorganic materials, including oxides, metals, semiconductors and ceramics, it is possible to image individual atomic columns in low-index zone-axis projections. A whole host of important materials’ problems involving defects and departures from nonstoichiometry on the atomic scale are waiting to be tackled by the new generation of intermediate voltage (300-400keV) electron microscopes. In this review, some existing problems and limitations associated with imaging inorganic materials are briefly discussed. The more immediate problems encountered with organic and biological materials are considered elsewhere.Microscope resolution. It is less than a decade since the state-of-the-art, commercially available TEM was a 200kV instrument with a spherical aberration coefficient of 1.2mm, and an interpretable resolution limit (ie. first zero crossover of the contrast transfer function) of 2.5A.


1986 ◽  
Vol 77 ◽  
Author(s):  
Mary Beth Stearns ◽  
Amanda K. Petford-Long ◽  
C.-H. Chang ◽  
D. G. Stearns ◽  
N. M. Ceglio ◽  
...  

ABSTRACTThe technique of high resolution electron microscopy has been used to examine the structure of several multilayer systems (MLS) on an atomic scale. Mo/Si multilayers, in use in a number of x-ray optical element applications, and Mo/Si multilayers, of interest because of their magnetic properties, have been imaged in cross-section. Layer thicknesses, flatness and smoothness have been analysed: the layer width can vary by up to 0.6nm from the average value, and the layer flatness depends on the quality of the substrate surface for amorphous MLS, and on the details of the crystalline growth for the crystalline materials. The degree of crystallinity and the crystal orientation within the layers have also been investigated. In both cases, the high-Z layers are predominantly crystalline and the Si layers appear amorphous. Amorphous interfacial regions are visible between the Mo and Si layers, and crystalline cobalt suicide interfacial regions between the Co and Si layers. Using the structural measurements obtained from the HREM results, theoretical x-ray reflectivity behaviour has been calculated. It fits the experimental data very well.


1999 ◽  
Vol 304-306 ◽  
pp. 567-572
Author(s):  
A. Kumao ◽  
N. Nakamura ◽  
H. Endoh ◽  
Y. Okamoto ◽  
Mayumi Suzuki

1989 ◽  
Vol 159 ◽  
Author(s):  
A. Catana ◽  
M. Heintze ◽  
P.E. Schmid ◽  
P. Stadelmann

ABSTRACTHigh Resolution Electron Microscopy (HREM) was used to study microstructural changes related to the CoSi/Si-CoSi/CoSi2/Si-CoSi2/Si transformations. CoSi is found to grow epitaxially on Si with [111]Si // [111]CoSi and < 110 >Si // < 112 >CoSi. Two CoSi non-equivalent orientations (rotated by 180° around the substrate normal) can occur in this plane. They can be clearly distinguished by HRTEM on cross-sections ( electron beam along [110]Si). At about 500°C CoSi transforms to CoSi2. Experimental results show that the type B orientation relationship satisfying [110]Si // [112]CoSi is preserved after the initial stage of CoSi2 formation. At this stage an epitaxial CoSi/CoSi2/Si(111) system is obtained. The atomic scale investigation of the CoSi2/Si interface shows that a 7-fold coordination of the cobalt atoms is observed in both type A and type B epitaxies.


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