Al3+-doping dependence on structural phase evolution in the LaCrO3 compound studied using atomistic simulation

2021 ◽  
Vol 148 ◽  
pp. 109734
Author(s):  
Romualdo S. Silva ◽  
André M. Otsuka ◽  
Nilson S. Ferreira
2020 ◽  
Vol 121 (1) ◽  
pp. 41-45
Author(s):  
N. V. Boiko ◽  
I. A. Evstyukhina ◽  
M. V. Leont’eva-Smirnova ◽  
E. M. Mozhanov ◽  
S. G. Rudakov ◽  
...  

2018 ◽  
Vol 20 (8) ◽  
pp. 5636-5643 ◽  
Author(s):  
Christoph Möller ◽  
Hanna Fedderwitz ◽  
Claudine Noguera ◽  
Jacek Goniakowski ◽  
Niklas Nilius

STM and DFT calculations are employed to explore structural phase transitions in thin copper-oxide films grown on Au(111).


2018 ◽  
Vol 08 (04) ◽  
pp. 1850024 ◽  
Author(s):  
Amantulla Mansuri ◽  
Ilyas Noor Bhatti ◽  
Imtiaz Noor Bhatti ◽  
Ashutosh Mishra

In the present study, we have synthesized polycrystalline samples of BaTi[Formula: see text]CoxO3 (BTCO) ([Formula: see text], 0.01, 0.03, 0.05, 0.07 and 0.10) with standard solid state reaction technique. The obtained samples are characterized by X-ray diffraction (XRD) and Raman spectroscopy for structural study. The detailed structural analysis has been performed by Rietveld refinement using Fullprof program. We observed an increase in lattice parameters, which results due to substitution of Co[Formula: see text] with large ionic radii (0.9[Formula: see text]Å) for smaller ionic radii (0.6[Formula: see text]Å) Ti[Formula: see text]. Moreover, peak at 45.5∘ shifts to 45∘ on Co doping, which is due to structure phase transition from tetragonal to cubic. Raman study infers that the intensity of characteristic peaks decreases and line width increases with Co doping. The bands linked with the tetragonal structure (305[Formula: see text]cm[Formula: see text]) decreased due to the tetragonal-to-cubic phase transition with Co doping. Our structural study reveals the expansion of BTCO unit cell and tetragonal-to-cubic phase transformation takes place. The results from different characterization techniques are conclusive and show structural evolution with Co doping. The samples are further characterized by dielectric spectroscopy, dielectric measurement reveals the increase of dielectric constant and transition [Formula: see text]C is observed for Barium titanate (BaTiO3), whereas transition disappears with Co doping. Both temperature and frequency-dependent tangent loss is also studied.


2014 ◽  
Vol 0 (3) ◽  
pp. 10-13 ◽  
Author(s):  
E.V. Filonov ◽  
◽  
M.M. Bakradze ◽  
A.Ya. Kotchoubey ◽  
N.L. Vavilin ◽  
...  

Author(s):  
Volodymyr Oleksiyovych Chyshkala ◽  
Serhii Volodymyrovych Lytovchenko ◽  
Edwin Spartakovych Gevorkyan ◽  
Volodymyr Pavlovych Nerubatskyi ◽  
Bogdan Оlexandrovych Mazilin ◽  
...  

Modern scientific and technological development of society, further intensification of production together with the provision of proper safety of human life and preservation of the environment necessitate the search for new solutions in the creation of new materials and technologies. The creation of effective materials for the latest and future technologies and technicaldevices is based on new scientific data on the definition and analysis of specific mechanisms of physicochemical processes that implement the desired structural and phase state of solids with the desired set of properties. In recent decades, the most effective way to control the properties of solid materials is the use of nanotechnology and nanomaterials, which have recently been increasingly used in almost all areas of new technologies. The article investigates synthesis processes, structural characteristics and structural-phase processes in multicomponent metal-ceramic oxide materials, physicochemical mechanisms ofsynthesi s of multielement oxide compounds Y2Zr2O7 with pyrochlor structure during consolidation and sintering of yttrium and zirconium oxides, structure formation -phase characteristics of materials with different chemical composition. The structural-phase evolution in the synthesis of new substances and the consolidation of compounds of the Y2O3 – ZrO2 system have been studied. Samples of oxide heat with the proportion of pyrochlorine phase Y2Zr2O7 up to 41 % were obtained. It is established that the kinetics of increasing the proportion of pyrochlorine phase in the samples indicates a desirable increase in the activity of the chemical reaction, which can be achieved by increasing the synthesis temperature to the temperatures of eutectic formation or increasing the reaction surface of powders.


1996 ◽  
Vol 186 (1) ◽  
pp. 133-136 ◽  
Author(s):  
Ducinei Garcia ◽  
Jose Antonio Eiras

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