scholarly journals Symmetry and polarity of antiphase boundaries in PbZrO3

2021 ◽  
Vol 104 (22) ◽  
Author(s):  
I. Rychetsky ◽  
W. Schranz ◽  
A. Tröster
Keyword(s):  
Author(s):  
P.P.K. Smith

Grains of pigeonite, a calcium-poor silicate mineral of the pyroxene group, from the Whin Sill dolerite have been ion-thinned and examined by TEM. The pigeonite is strongly zoned chemically from the composition Wo8En64FS28 in the core to Wo13En34FS53 at the rim. Two phase transformations have occurred during the cooling of this pigeonite:- exsolution of augite, a more calcic pyroxene, and inversion of the pigeonite from the high- temperature C face-centred form to the low-temperature primitive form, with the formation of antiphase boundaries (APB's). Different sequences of these exsolution and inversion reactions, together with different nucleation mechanisms of the augite, have created three distinct microstructures depending on the position in the grain.In the core of the grains small platelets of augite about 0.02μm thick have farmed parallel to the (001) plane (Fig. 1). These are thought to have exsolved by homogeneous nucleation. Subsequently the inversion of the pigeonite has led to the creation of APB's.


Author(s):  
N.-H. Cho ◽  
S. McKernan ◽  
C.B. Carter ◽  
K. Wagner

Interest has recently increased in the possibility of growing III-V compounds epitactically on non-polar substrates to produce device quality material. Antiphase boundaries (APBs) may then develop in the GaAs epilayer because it has sphalerite structure (face-centered cubic with a two-atom basis). This planar defect may then influence the electrical behavior of the GaAs epilayer. The orientation of APBs and their propagation into GaAs epilayers have been investigated experimentally using both flat-on and cross-section transmission electron microscope techniques. APBs parallel to (110) plane have been viewed at the atomic resolution and compared to simulated images.Antiphase boundaries were observed in GaAs epilayers grown on (001) Ge substrates. In the image shown in Fig.1, which was obtained from a flat-on sample, the (110) APB planes can be seen end-on; the faceted APB is visible because of the stacking fault-like fringes arising from a lattice translation at this interface.


Author(s):  
T. S. Kuan

Recent electron diffraction studies have found ordered phases in AlxGa1-xAs, GaAsxSb1-x, and InxGa1-xAs alloy systems, and these ordered phases are likely to be found in many other III-V ternary alloys as well. The presence of ordered phases in these alloys was detected in the diffraction patterns through the appearance of superstructure reflections between the Bragg peaks (Fig. 1). The ordered phase observed in the AlxGa1-xAs and InxGa1-xAs systems is of the CuAu-I type, whereas in GaAsxSb1-x this phase and a chalcopyrite type ordered phase can be present simultaneously. The degree of order in these alloys is strongly dependent on the growth conditions, and during the growth of these alloys, high surface mobility of the depositing species is essential for the onset of ordering. Thus, the growth on atomically flat (110) surfaces usually produces much stronger ordering than the growth on (100) surfaces. The degree of order is also affected by the presence of antiphase boundaries (APBs) in the ordered phase. As shown in Fig. 2(a), a perfectly ordered In0.5Ga0.5As structure grown along the <110> direction consists of alternating InAs and GaAs monolayers, but due to local growth fluctuations, two types of APBs can occur: one involves two consecutive InAs monolayers and the other involves two consecutive GaAs monolayers.


2021 ◽  
Vol 7 (8) ◽  
pp. 108
Author(s):  
Martin Friák ◽  
Miroslav Černý ◽  
Mojmír Šob

We performed a quantum mechanical study of segregation of Cu atoms toward antiphase boundaries (APBs) in Fe3Al. The computed concentration of Cu atoms was 3.125 at %. The APBs have been characterized by a shift of the lattice along the ⟨001⟩ crystallographic direction. The APB energy turns out to be lower for Cu atoms located directly at the APB interfaces and we found that it is equal to 84 mJ/m2. Both Cu atoms (as point defects) and APBs (as extended defects) have their specific impact on local magnetic moments of Fe atoms (mostly reduction of the magnitude). Their combined impact was found to be not just a simple sum of the effects of each of the defect types. The Cu atoms are predicted to segregate toward the studied APBs, but the related energy gain is very small and amounts to only 4 meV per Cu atom. We have also performed phonon calculations and found all studied states with different atomic configurations mechanically stable without any soft phonon modes. The band gap in phonon frequencies of Fe3Al is barely affected by Cu substituents but reduced by APBs. The phonon contributions to segregation-related energy changes are significant, ranging from a decrease by 16% at T = 0 K to an increase by 17% at T = 400 K (changes with respect to the segregation-related energy difference between static lattices). Importantly, we have also examined the differences in the phonon entropy and phonon energy induced by the Cu segregation and showed their strongly nonlinear trends.


1999 ◽  
Vol 588 ◽  
Author(s):  
Y. Ohno ◽  
S. Takeda

AbstractWe have developed an apparatus for polarized cathodoluminescence (CL) spectroscopy combined with transmission electron microscopy (TEM), that enables us to obtain simultaneously structural data in higher spatial resolution by TEM and polarized luminescence spectra by CL of the same microscopic area. The polarized-CL/TEM method is very useful to study the optical properties of low-dimensional microstructures in semiconducting materials. We have applied the method to examine the optical property of antiphase boundaries in CuPt-ordered GaInP2 and found, for the first time, the polarized light emission from the APBs whose habit planes are parallel to the (T11) and (1T0) atomic planes.


1995 ◽  
Vol 10 (4) ◽  
pp. 843-852 ◽  
Author(s):  
N. Guelton ◽  
R.G. Saint-Jacques ◽  
G. Lalande ◽  
J-P. Dodelet

GaAs layers grown by close-spaced vapor transport on (100) Ge substrates have been investigated as a function of the experimental growth conditions. The effects on the microstructure of the surface preparation, substrate misorientation, and annealing were studied using optical microscopy and transmission electron microscopy. Microtwins and threading dislocations are suppressed by oxide desorption before deposition. Single domain GaAs layers have been obtained using a 50 nm thick double domain buffer layer on an annealed Ge substrate misoriented 3°toward [011]. The mismatch strain is mainly accommodated by dissociated 60°dislocations. These misfit dislocations extend along the interface by the glide of the threading dislocations inherited from the substrate, but strong interaction with antiphase boundaries (APB's) prevents them from reaching the interface. These results are discussed and compared with previous reports of GaAs growth on Ge(100).


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