scholarly journals Peculiar Structural Effects in Pure and Doped Functional Single Crystals of Complex Compositions

Molecules ◽  
2020 ◽  
Vol 25 (10) ◽  
pp. 2451
Author(s):  
Galina Kuz’micheva ◽  
Irina Kaurova
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Functional Materials ◽  
Local Environment ◽  
Structural Effects ◽  
Local Structures ◽  
Annealing Conditions ◽  
Activator Ions

Results of a detailed structural characterization of nominally pure and doped single crystals of scheelite, eulytin, and perovskite families obtained by melt methods were considered and analyzed. The influence of growth and post-growth annealing conditions on actual compositions of crystals is shown. The reasons for the coloration of the crystals are explained. A change in crystal symmetry due to crystal–chemical and growth reasons is considered. The use of structural analysis and X-ray absorption spectroscopy is substantiated to reveal the role of activator ions in the formation of statistical and local structures, respectively. A relationship between the distribution of activator ions over crystallographic sites and photoluminescent parameters of materials is established, which allows selecting optimal systems for the application. The combined results of studying single-crystal compounds of other classes (huntite, sillenite, whitlockite, garnet, tetragonal bronzes) allow formulating and summarizing structural effects that appeared in the systems and caused by various factors and, in many cases, due to the local environment of cations. A principal difference in the structural behavior of solid solutions and doped compounds is shown. The methodology developed for single-crystal samples of complex compositions can be recommended for the systematic structural studies of functional materials of different compositions.

scholarly journals Modeling of magneto-conductivity of bismuth selenide: a topological insulator

2021 ◽  
Vol 3 (4) ◽  
Author(s):  
Yogesh Kumar ◽  
Rabia Sultana ◽  
Prince Sharma ◽  
V. P. S. Awana
Keyword(s):  
Magnetic Field ◽  
Magnetic Fields ◽  
Single Crystal ◽  
Single Crystals ◽  
X Ray Diffraction ◽  
Field Range ◽  
X Ray ◽  
Bulk Carriers ◽  
Different Temperatures

AbstractWe report the magneto-conductivity analysis of Bi2Se3 single crystal at different temperatures in a magnetic field range of ± 14 T. The single crystals are grown by the self-flux method and characterized through X-ray diffraction, Scanning Electron Microscopy, and Raman Spectroscopy. The single crystals show magnetoresistance (MR%) of around 380% at a magnetic field of 14 T and a temperature of 5 K. The Hikami–Larkin–Nagaoka (HLN) equation has been used to fit the magneto-conductivity (MC) data. However, the HLN fitted curve deviates at higher magnetic fields above 1 T, suggesting that the role of surface-driven conductivity suppresses with an increasing magnetic field. This article proposes a speculative model comprising of surface-driven HLN and added quantum diffusive and bulk carriers-driven classical terms. The model successfully explains the MC of the Bi2Se3 single crystal at various temperatures (5–200 K) and applied magnetic fields (up to 14 T).

Growth and Characterization of Single Crystal Epitaxial CoGa on MBE Grown III-V Semiconductors

1988 ◽  
Vol 144 ◽  
Author(s):  
K. C. Garrison ◽  
C. J. Palmstrøm ◽  
R. A. Bartynski
Keyword(s):  
Substrate Temperature ◽  
Single Crystal ◽  
Single Crystals ◽  
Structural Quality ◽  
High Quality ◽  
Auger Analysis ◽  
Post Deposition

ABSTRACTWe have demonstrated growth of high quality single crystal CoGa films on Ga1−xAlxAs. These films were fabricated in-situ by codeposition of Co and Ga on MBE grown Ga1−xAlxAs(100) surfaces. The elemental composition of the films was determined using Rutherford Backscattering (RBS) and in-situ Auger analysis. The structural quality of the films' surfaces was studied using RHEED (during deposition) and LEED (post deposition). RBS channeling was used to determine the bulk crystalline quality of these films.For ∼500 Å CoGa films grown at ∼450°C substrate temperature, channeling data showed good quality epitaxial single crystals [χmin ∼7%] with minimal dechanneling at the interface.

Micro pulling down growth of very thin shape memory alloys single crystals

2017 ◽  
Vol 10 (01) ◽  
pp. 1740003 ◽  
Author(s):  
I. López-Ferreño ◽  
J. San Juan ◽  
T. Breczewski ◽  
G. A. López ◽  
M. L. Nó
Keyword(s):  
Mechanical Properties ◽  
Shape Memory Alloys ◽  
Single Crystal ◽  
Shape Memory ◽  
Single Crystals ◽  
Functional Materials ◽  
Small Scale ◽  
Cylindrical Shape ◽  
Minimum Diameter ◽  
Wide Range

Shape memory alloys (SMAs) have attracted much attention in the last decades due to their thermo-mechanical properties such as superelasticity and shape memory effect. Among the different families of SMAs, Cu–Al–Ni alloys exhibit these properties in a wide range of temperatures including the temperature range of 100–200[Formula: see text]C, where there is a technological demand of these functional materials, and exhibit excellent behavior at small scale making them more competitive for applications in Micro Electro-Mechanical Systems (MEMS). However, polycrystalline alloys of Cu-based SMAs are very brittle so that they show their best thermo-mechanical properties in single-crystal state. Nowadays, conventional Bridgman and Czochralski methods are being applied to elaborate single-crystal rods up to a minimum diameter of 1[Formula: see text]mm, but no works have been reported for smaller diameters. With the aim of synthesizing very thin single-crystals, the Micro-Pulling Down ([Formula: see text]-PD) technique has been applied, for which the capillarity and surface tension between crucible and the melt play a critical role. The [Formula: see text]-PD method has been successfully applied to elaborate several cylindrical shape thin single-crystals down to 200[Formula: see text][Formula: see text]m in diameter. Finally, the martensitic transformation, which is responsible for the shape memory properties of these alloys, has been characterized for different single-crystals. The experimental results evidence the good quality of the grown single-crystals.

scholarly journals The Role of Percent Volume Buried in the Characterization of Copper(I) Complexes for Lighting Purposes

Molecules ◽  
2020 ◽  
Vol 25 (11) ◽  
pp. 2647 ◽  
Author(s):  
Murat Alkan-Zambada ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Quantum Yields ◽  
X Ray ◽  
Photophysical Behavior

The usefulness of percent volume buried (%Vbur) as a readily quantifiable property is investigated with regard to [Cu(NN)(PP)]+ complexes of interest for lighting purposes. Photoluminescence quantum yields (PLQYs) and single crystal X-ray structures of 100 reported compounds were assembled, %Vbur of the ligand systems were calculated and analyzed for correlations. We found that increased shielding of the central Cu(I) cation relying on shared contributions of both (NN) and (PP) ligand systems led to increased PLQYs. These findings are of relevance for future characterizations of Cu(I)-based complexes and their photophysical behavior in the solid-state.

The Last Missing Member of the AE2[BN2]Cl Series – Synthesis, Structural and Spectroscopic Characterization of Ba2[BN2]Cl

2008 ◽  
Vol 63 (5) ◽  
pp. 525-529 ◽  
Author(s):  
Olaf Reckeweg ◽  
Jesse Reiherzer ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
X Ray ◽  
Fundamental Frequencies ◽  
Raman And Ir Spectra

Pale grey-blue, transparent single crystals of Ba2[BN2]Cl (I4132 (no. 214), a = 1462.88(1) pm, Z = 24) are obtained by the reaction of Ba, BaCl2, BN and NaN3 in arc-welded Ta ampoules at 1200 K. The crystal structure was determined by single crystal X-ray structure analysis. The Raman and IR spectra of the title compound show the expected fundamental frequencies (νs = 1038; νas = 1969 and 2087; δ = 616 / 636 cm−1) for a nitridoborate unit with D∞h symmetry. The [N-B-N] structure obtained by X-ray single crystal structure determination corroborates this finding within the standard deviations of the measurement with d(B-N) = 132.3(8) pm and ∡ (N-B-N) = 178.5(13)°. Our results compare well to the data reported for cubic and orthorhombic Ba3[BN2]2 as well as to the isotypic compound Ba2[BN2]Br.

Structural characterization of Ti implanted AlN

1995 ◽  
Vol 10 (12) ◽  
pp. 3136-3142 ◽  
Author(s):  
M. Borowski ◽  
A. Traverse ◽  
J.P. Dallas
Keyword(s):  
Chemical Properties ◽  
Local Environment ◽  
Heat Of Formation ◽  
Implantation Process ◽  
Calculated Distribution ◽  
Final System ◽  
Post Implantation ◽  
Key Parameter

Sintered AlN ceramics were implanted by 1 × 1017 Ti/cm2 at an energy of 70 keV in order to investigate the role of the chemical properties of the implanted species on the phase formed during the implantation process. The implanted ions were found in a depth profile corresponding to the calculated distribution of the vacancies produced during the implantation process instead of the predicted ion profile. Identification of the local environment of Ti and of the resulting phase led us to conclude that Ti is surrounded by N after the collision cascade and forms TiN after post-implantation annealing. The TiN nucleus if formed by substitution of Al by Ti. Therefore, the heat of formation, which is more negative for TiN than for AlN, is found to be a key parameter to predict the final system.

scholarly journals Characterization of Bulk 3C-SiC Single Crystals Grown on 4H-SiC by the CF-PVT Method

2006 ◽  
Vol 527-529 ◽  
pp. 99-102 ◽  
Author(s):  
Laurence Latu-Romain ◽  
Didier Chaussende ◽  
Carole Balloud ◽  
Sandrine Juillaguet ◽  
L. Rapenne ◽  
...  
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Recent Work ◽  
Continuous Improvement ◽  
Crystal Quality ◽  
Multi Scale ◽  
Free Area

Because of the formation of DPB (Double Positioning Boundary) when starting from a hexagonal <0001> seed, DPB-free 3C-SiC single crystals have never been reported up to now. In a recent work we showed that, using adapted nucleation conditions, one could grow thick 3C-SiC single crystal almost free of DPB [1]. In this work we present the results of a multi-scale investigation of such crystals. Using birefringence microscopy, EBSD and HR-TEM, we find evidence of a continuous improvement of the crystal quality with increasing thickness in the most defected area, at the sample periphery. On the contrary, in the large DPB-free area, the SF density remains rather constant from the interface to the surface. The LTPL spectra collected at 5K on the upper part of samples present a nice resolution of multiple bound exciton features (up to m=5) which clearly shows the high (electronic) quality of our 3C-SiC material.

scholarly journals Crystallographic Characterization of the Metal–Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion*

2020 ◽  
Author(s):  
Naomi Biggins ◽  
Michael Ziebel ◽  
Miguel Gonzalez ◽  
Jeffrey R. Long
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Cation Framework ◽  
Metal Organic ◽  
Organic Framework

<div><p>Precisely locating extra-framework cations in anionic metal–organic framework compounds remains a long-standing, yet crucial, challenge for elucidating structure-performance relationships in functional materials. Single-crystal X-ray diffraction is one of the most powerful approaches for this task, but single crystals of frameworks often degrade when subjected to post-synthetic metalation or reduction. Here, we demonstrate the growth of sizable single crystals of the robust metal–organic framework Fe<sub>2</sub>(bdp)<sub>3</sub> (bdp<sup>2−</sup> = benzene-1,4-dipyrazolate) and employ single-crystal-to-single-crystal chemical reductions to access the solvated framework materials A<sub>2</sub>Fe<sub>2</sub>(bdp)<sub>3</sub>∙<i>y</i>THF<sub> </sub>(A = Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>). X-ray diffraction analysis of the sodium and potassium congeners reveals that the cations are located near the center of the triangular framework channels and are stabilized by weak cation–π interactions with the framework ligands. Freeze-drying with benzene enables isolation of activated single crystals of Na<sub>0.5</sub>Fe<sub>2</sub>(bdp)<sub>3 </sub>and Li<sub>2</sub>Fe<sub>2</sub>(bdp)<sub>3</sub> and the first structural characterization of activated metal–organic frameworks wherein extra-framework alkali metal cations are also structurally located. Comparison of the solvated and activated sodium-containing structures reveals that the cation positions differ in the two materials, likely due to cation migration that occurs upon solvent removal to maximize stabilizing cation­–π interactions. Hydrogen adsorption data indicate that these cation-framework interactions are sufficient to diminish the effective cationic charge, leading to little or no enhancement in gas uptake relative to Fe<sub>2</sub>(bdp)<sub>3</sub>. In contrast, Mg<sub>0.85</sub>Fe<sub>2</sub>(bdp)<sub>3</sub> exhibits enhanced H<sub>2</sub> affinity and capacity over the non-reduced parent material. This observation shows that increasing the charge density of the pore-residing cation serves to compensate for charge dampening effects resulting from cation–framework interactions and thereby promotes stronger cation–H<sub>2</sub> interactions.</p></div>

scholarly journals Crystallographic Characterization of the Metal–Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion*

2020 ◽  
Author(s):  
Naomi Biggins ◽  
Michael Ziebel ◽  
Miguel Gonzalez ◽  
Jeffrey R. Long
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Cation Framework ◽  
Metal Organic ◽  
Organic Framework

<div><p>Precisely locating extra-framework cations in anionic metal–organic framework compounds remains a long-standing, yet crucial, challenge for elucidating structure-performance relationships in functional materials. Single-crystal X-ray diffraction is one of the most powerful approaches for this task, but single crystals of frameworks often degrade when subjected to post-synthetic metalation or reduction. Here, we demonstrate the growth of sizable single crystals of the robust metal–organic framework Fe<sub>2</sub>(bdp)<sub>3</sub> (bdp<sup>2−</sup> = benzene-1,4-dipyrazolate) and employ single-crystal-to-single-crystal chemical reductions to access the solvated framework materials A<sub>2</sub>Fe<sub>2</sub>(bdp)<sub>3</sub>∙<i>y</i>THF<sub> </sub>(A = Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>). X-ray diffraction analysis of the sodium and potassium congeners reveals that the cations are located near the center of the triangular framework channels and are stabilized by weak cation–π interactions with the framework ligands. Freeze-drying with benzene enables isolation of activated single crystals of Na<sub>0.5</sub>Fe<sub>2</sub>(bdp)<sub>3 </sub>and Li<sub>2</sub>Fe<sub>2</sub>(bdp)<sub>3</sub> and the first structural characterization of activated metal–organic frameworks wherein extra-framework alkali metal cations are also structurally located. Comparison of the solvated and activated sodium-containing structures reveals that the cation positions differ in the two materials, likely due to cation migration that occurs upon solvent removal to maximize stabilizing cation­–π interactions. Hydrogen adsorption data indicate that these cation-framework interactions are sufficient to diminish the effective cationic charge, leading to little or no enhancement in gas uptake relative to Fe<sub>2</sub>(bdp)<sub>3</sub>. In contrast, Mg<sub>0.85</sub>Fe<sub>2</sub>(bdp)<sub>3</sub> exhibits enhanced H<sub>2</sub> affinity and capacity over the non-reduced parent material. This observation shows that increasing the charge density of the pore-residing cation serves to compensate for charge dampening effects resulting from cation–framework interactions and thereby promotes stronger cation–H<sub>2</sub> interactions.</p></div>

FRACTAL ROUGHNESS CHARACTERIZATION OF SUPER-GROUND Mn-Zn FERRITE SINGLE CRYSTALS

Fractals ◽  
1996 ◽  
Vol 04 (02) ◽  
pp. 205-211 ◽  
Author(s):  
J. YU ◽  
Y. NAMBA ◽  
M. SHIOKAWA
Keyword(s):  
Surface Roughness ◽  
Single Crystal ◽  
Single Crystals ◽  
Feed Rate ◽  
Scaling Behavior ◽  
Machining Process ◽  
Roughness Exponent ◽  
Zn Ferrite ◽  
Fractal Roughness

The surface of superground Mn-Zn ferrite single crystal may be identified as a self-affine fractal in the stochastic sense. The rms roughness increased as a power of the scale from 102 nm to 106 nm with the roughness exponent α=0.17±0.04, and 0.11±0.06, for grinding feed rate of 15 and 10 μm/rev, respectively. The scaling behavior coincided with the theory prediction well used for growing self-affine surfaces in the interested region for magnetic heads performance. The rms roughnesses increased with increase in the feed rate, implying that the feed rate is a crucial grinding parameter affecting the supersmooth surface roughness in the machining process.

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