Structure-Property Relationships in SrRuO3 Epitaxial Thin Films

1997 ◽  
Vol 474 ◽  
Author(s):  
J-P. Maria ◽  
S. Trolier-McKinstry ◽  
D. G. Schlom
Keyword(s):  
Film Structure ◽  
Epitaxial Thin Films ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Lattice Constants ◽  
Structure Property Relationships ◽  
Structures And Properties ◽  
Structural And Electrical Properties ◽  
Out Of Plane

ABSTRACTEpitaxial SrRuO3 films were prepared on (001) SrTiO3 substrates by pulsed laser deposition. The film structure was characterized by 4-circle x-ray diffraction and the electrical behavior by temperature dependent resistivity measurements. With variations in the deposition conditions, significant changes in both structural and electrical properties were observed. When deposited under conditions favoring appreciable energetic bombardment, the SrRuO3 films on SrTiO3 exhibited extended in and out-of-plane lattice constants and increased values of resistivity; in addition, a depression of the Curie temperature was measured. SrRuO3 deposited under less aggressive conditions displayed structures and properties more similar to those associated with bulk crystals.

On the nature of the phase transitions of aluminosilicate perrhenate sodalite

2020 ◽  
Vol 235 (6-7) ◽  
pp. 213-223
Author(s):  
Hilke Petersen ◽  
Lars Robben ◽  
Thorsten M. Gesing
Keyword(s):  
Raman Spectroscopy ◽  
Phase Transitions ◽  
Decomposition Temperature ◽  
Second Phase ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Two Phase ◽  
Structure Property Relationships ◽  
Heat Capacity Measurements

AbstractThe temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD) were analysed via powder X-ray diffraction (PXRD), Raman spectroscopy and heat capacity measurements. ReO4-SOD shows two phase transitions in the investigated temperature range (13 K < T < 1480 K). The first one at 218.6(1) K is correlated to the transition of dynamically ordered $P\overline{4}3n$ (> 218.6(1 K) to a statically disordered (<218.6(1) K) SOD template in $P\overline{4}3n$. The loss of the dynamics of the template anion during cooling causes an increase of disorder, indicated by an unusual intensity decrease of the 011-reflection and an increase of the Re-O2 bond length with decreasing temperature. Additionally, Raman spectroscopy shows a distortion of the ReO4 anion. Upon heating the thermal expansion of the sodalite cage originated in the tilt-mechanism causes the second phase transition at 442(1) K resulting in a symmetry-increase from $P\overline{4}3n$ to $Pm\overline{3}n$, the structure with the sodalites full framework expansion. Noteworthy is the high decomposition temperature of 1320(10) K.

Structure-Property Relationships in W Doped (Ba,Sr)TiO3 Thin Films Deposited by Pulsed Laser Deposition on (001) MgO

2002 ◽  
Vol 720 ◽  
Author(s):  
N. Navi ◽  
J.S. Horwitz ◽  
H.-D. Wu ◽  
S.B. Qadri
Keyword(s):  
Pulsed Laser Deposition ◽  
Pulsed Laser ◽  
Lattice Parameters ◽  
Laser Deposition ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Deposition Pressure ◽  
Structure Property Relationships ◽  
Plane Lattice ◽  
Out Of Plane

AbstractBaxSr(1-x)TiO3 films (BST) with x=0.5, 0.6, 0.7, containing 1% W, were grown by pulsed laser deposition on MgO (001) substrates in an oxygen pressure from 3 to 500 mTorr, at a substrate temperature of 720 C. The crystal structure of the film, as determined from x-ray diffraction, was fit to a tetragonal distortion of a cubic lattice having two in-plane lattice parameters. The in and out-of-plane lattice parameters c, a, á, and lattice distortion (a/c and á/c) were calculated from the positions of the measured BST reflections ((004), (024) and (224)). The dielectric properties of the film at 2 GHz were measured using gap capacitors deposited on top of the dielectric film, at room temperature. For all compositions, as a function of the oxygen deposition pressure, a peak in the change in the dielectric constant, as a function of an applied electric field (0 – 80 kV/cm), was observed for films deposited in 50 mTorr of oxygen. Unlike the pure BST, the dielectric Q was insensitive to the oxygen deposition pressure. The largest Kfactor (K=(ε(0)-ε(V)/ε(0) x Q(0)) for films deposited from Ba0.6Sr0.4TiO3 target were observed in a film that had a minimum in-plane strain, where a~á.

Effect of Structure, Stress, Strain, and Alloying on the Hardness of Fe(001)/Pt(001) Epitaxial Multilayers

1994 ◽  
Vol 356 ◽  
Author(s):  
B. J. Daniels ◽  
W. D. Nix ◽  
B. M. Clemens
Keyword(s):  
Strain Relaxation ◽  
Lattice Parameter ◽  
Film Stress ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Stress Strain ◽  
Structure Property Relationships ◽  
Out Of Plane ◽  
Sputter Deposited ◽  
Epitaxial Multilayers

AbstractThe hardness of epitaxial sputter-deposited Fe(001)/Pt(001) multilayers grown on single crystal MgO(001) has been previously evaluated as a function of composition wavelength, Λ. Nanoindentation results reveal that the hardness is enhanced over that expected from a simple rule of mixtures by a factor of approximately 2.5 for bilayer spacings from 20 to 125 Å. In this paper we investigate possible causes of this hardness enhancement by determining the stress, strain, and alloying in each layer of the multilayer as a function of Λ. Accurate in-plane and out-of-plane lattice parameter measurements were obtained via x-ray diffraction using synchrotron radiation. The stress state and the extent of alloying in each layer as a function of Λ was determined by using the appropriate elastic constants for each component. The stress, strain, and amount of alloying in the Pt layer were near zero for 25≤Λ≤121 Å. The Fe layer exhibited large stresses and strains which relaxed with increasing Λ for 44≤Λ≤121 Å. For Λ=25 Å, the metastable FCC structure was adopted by the Fe film. The amount of alloying also varied from approximately 11 at.% Pt for Λ=44 Å to 5 at.% Pt for Λ=121 Å. Since the structure, film stress, amount of strain relaxation, and extent of alloying vary over this range of Λ while the hardness does not, we conclude that the hardness enhancement in these films must be controlled by other factors. Nevertheless the investigation of these basic film properties has enhanced our understanding of the structure-property relationships that give rise to strengthening in multilayer thin films.

Structure/Property Relationships of Seashells

2004 ◽  
Vol 844 ◽  
Author(s):  
David J. Scurr ◽  
Stephen J. Eichhorn
Keyword(s):  
Raman Band ◽  
Surface Damage ◽  
Structure Property ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Property Relationships ◽  
Energy Variable ◽  
Insight Into ◽  
Characterisation Techniques ◽  
Scanning Electron

ABSTRACTThis study uses various characterisation techniques on the razor shell (Ensis siliqua), to relate the shell's microstructure to its mechanical properties. Scanning electron microscopy (SEM) has shown that the outer and inner regions of the shell are composed of simple and complex crossed lamellar microstructures respectively. These layers are interspersed by prismatic layers of a completely different crystallographic orientation. Nanoindentation and microhardness measurements have shown that the structure is anisotropic, and Raman band shifts have been observed within these indented/deformed areas of shell, showing that the microstructure deforms rather than generating surface damage. The use of energy variable synchrotron X-ray diffraction has shown that the calcium carbonate crystals of the shell are preferentially orientated as a function of depth and that opposing residual stresses exist at the outer and inner regions of the shell. This study has analysed several microstructural features of the shell and provided an insight into how they prevent failure of the material.

Crystal and electronic structure of the new ternary phosphide Ho5Pd19P12

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Olha Zhak ◽  
Oksana Karychort ◽  
Volodymyr Babizhetskyy ◽  
Chong Zheng
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Structure Property Relationships ◽  
Metallic Bonding ◽  
Crystal And Electronic Structure ◽  
Insight Into

Abstract The title compound was prepared from the pure elements by sintering. The crystal structure was investigated by means of powder X-ray diffraction data. Ho5Pd19P12 exhibits the hexagonal Ho5Ni19P12-type structure with space group P 6 ‾ 2 m $P&#x203e;{6}2m$ , a = 13.1342(2), c = 3.9839(1) Å, R I = 0.060, R p = 0.080. The crystal structure can be described as a combination of two types of the structural units, [HoPd6P3] and [Ho3Pd10P6], respectively, mutually displaced by 1/2 along the crystallographic c axis. Quantum chemical calculations have been performed to analyze the electronic structure and provide deeper insight into the structure-property relationships. The results of the quantum chemical calculations indicate that the material features metallic bonding between Ho and Pd and covalent bonding between Pd and P.

scholarly journals Electron Density and Its Relation with Electronic and Optical Properties in 2D Mo/W Dichalcogenides

Nanomaterials ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 2221
Author(s):  
Pingping Jiang ◽  
Marie-Christine Record ◽  
Pascal Boulet
Keyword(s):  
Optical Properties ◽  
Lattice Mismatch ◽  
Compressive Strain ◽  
Interatomic Interaction ◽  
Structure Property ◽  
Electronic And Optical Properties ◽  
Cubic Equation ◽  
Structure Property Relationships ◽  
Stacking Order ◽  
Structures And Properties

Two-dimensional MX2 (M = Mo, W; X = S, Se, Te) homo- and heterostructures have attracted extensive attention in electronics and optoelectronics due to their unique structures and properties. In this work, the layer-dependent electronic and optical properties have been studied by varying layer thickness and stacking order. Based on the quantum theory of atoms in molecules, topological analyses on interatomic interactions of layered MX2 and WX2/MoX2, including bond degree (BD), bond length (BL), and bond angle (BA), have been detailed to probe structure-property relationships. Results show that M-X and X-X bonds are strengthened and weakened in layered MX2 compared to the counterparts in bulks. X-X and M-Se/Te are weakened at compressive strain while strengthened at tensile strain and are more responsive to the former than the latter. Discordant BD variation of individual parts of WX2/MoX2 accounts for exclusively distributed electrons and holes, yielding type-II band offsets. X-X BL correlates positively to binding energy (Eb), while X-X BA correlates negatively to lattice mismatch (lm). The resulting interlayer distance limitation evidences constraint-free lattice of vdW structure. Finally, the connection between microscopic interatomic interaction and macroscopic electromagnetic behavior has been quantified firstly by a cubic equation relating to weighted BD summation and static dielectric constant.

Structure–property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs

2016 ◽  
Vol 3 (10) ◽  
pp. 1306-1316 ◽  
Author(s):  
M. Węcławik ◽  
A. Gągor ◽  
R. Jakubas ◽  
A. Piecha-Bisiorek ◽  
W. Medycki ◽  
...  
Keyword(s):  
Proton Magnetic Resonance ◽  
Optical Observations ◽  
Structure Property ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Property Relationships ◽  
Hybrid Crystals ◽  
Ft Ir ◽  
Two Hybrid ◽  
Ft Ir Spectroscopy

Two hybrid crystals imidazolium iodoantimonate(iii) and iodobismuthate(iii) have been synthesized and characterized in a wide temperature range (100–350 K) by means of X-ray diffraction, dielectric spectroscopy, proton magnetic resonance, FT-IR spectroscopy and optical observations.

MULTIFERROIC MATERIALS Bi1-xSmxFeO3: A STUDY OF RAMAN AND ABSORPTION SPECTROSCOPIES

2010 ◽  
Vol 19 (02) ◽  
pp. 247-254 ◽  
Author(s):  
NGUYEN VAN MINH ◽  
DAO VIET THANG
Keyword(s):  
Lattice Dynamics ◽  
Optical Band Gap ◽  
Solid State Reaction Method ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Conventional Solid State Reaction ◽  
X Ray ◽  
Lattice Constants ◽  
Raman Measurement

Multiferroic Bi 1-x Sm x FeO 3(x = 0.00, 0.05, 0.1, 0.15, 0.2) ceramics were prepared by conventional solid state reaction method. X-ray diffraction measurement was carried out to characterize the crystal structure and to detect the impurities existing in these ceramics. The substitution of rare earth Sm for Bi was found to decrease the impurity phase in BiFeO 3 ceramics. There is strong evidence that both lattice constants a and c of the unit cell become smaller as the Sm 3+ content is increased. The effect of introducing Sm 3+ is shown to decrease the optical band gap for doped sample Bi 1-x Sm x FeO 3. Additionally, the temperature-dependent Raman measurement performed for the lattice dynamics study of Bi 1-x Sm x FeO 3 samples reveals a strong band centered at around 1000–1300 cm-1 which is associated with the resonant enhancement of two-phonon Raman scattering in the multiferroic Bi 1-x Sm x FeO 3 samples. This two-phonon signal is shown to broaden with increasing x. The Raman spectra at low wavenumbers are suggested to be related with magnon in this system.

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