scholarly journals Temperature Dependence of Electrical Properties and Crystal Structure of 0.29Pb(In1/2Nb1/2)O3–0.44Pb(Mg1/3Nb2/3)O3–0.27PbTiO3Single Crystals

2013 ◽  
Vol 2013 ◽  
pp. 1-5
Author(s):  
Qian Li ◽  
Yun Liu ◽  
Andrew Studer ◽  
Zhenrong Li ◽  
Ray Withers ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Electrical Properties ◽  
Dielectric Permittivity ◽  
Neutron Diffraction ◽  
Electrical Measurement ◽  
Temperature Dependent ◽  
Electromechanical Properties ◽  
Polar Order

We characterized the temperature dependent (~25–200°C) electromechanical properties and crystal structure of Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3single crystals usingin situelectrical measurement and neutron diffraction techniques. The results show that the poled crystal experiences an addition phase transition around 120°C whereas such a transition is absent in the unpoled crystal. It is also found that the polar order persists above the maximum dielectric permittivity temperature at which the crystal shows a well-defined antiferroelectric behavior. The changes in the electrical properties and underlying crystal structure are discussed in the paper.

scholarly journals Effect of Sintering Temperature on Metal-Insulator Phase Transition in La1-xCaxMnO3 Perovskites

2020 ◽  
Vol 2 (1) ◽  
pp. 37-42
Author(s):  
Arunachalam M ◽  
Thamilmaran P ◽  
Sakthipandi K
Keyword(s):  
Phase Transition ◽  
Bulk Modulus ◽  
Sintering Temperature ◽  
Magnetic Sensors ◽  
Temperature Dependent ◽  
Metal Insulator ◽  
Wide Range ◽  
Different Temperatures ◽  
Insulator Phase Transition

Lanthanum calcium based perovskites are found to be advantageous for the possible applications in magnetic sensors/reading heads, cathodes in solid oxide fuel cells, and frequency switching devices. In the present investigation La0.3Ca0.7MnO3 perovskites were synthesised through solid state reaction and sintered at four different temperatures such as 900, 1000, 1100 and 1200˚ C. X-ray powder diffraction pattern confirms that the prepared La0.3Ca0.7MnO3 perovskites have orthorhombic structure with Pnma space group. Ultrasonic in-situ measurements have been carried out on the La0.3Ca0.7MnO3 perovskites over wide range of temperature and elastic constants such as bulk modulus of the prepared La0.3Ca0.7MnO3 perovskites was obtained as function of temperature. The temperature-dependent bulk modulus has shown an interesting anomaly at the metal-insulator phase transition. The metal insulator transition temperature derived from temperature-dependent bulk modulus increases from temperature 352˚ C to 367˚ C with the increase of sintering temperature from 900 to 1200˚ C.

Mn-Mg disordering in cummingtonite: a high-temperature neutron powder diffraction study

2000 ◽  
Vol 64 (2) ◽  
pp. 255-266 ◽  
Author(s):  
J. J. Reece ◽  
S. A. T. Redfern ◽  
M. D. Welch ◽  
C. M. B. Henderson
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
New York ◽  
High Temperature ◽  
Powder Diffraction ◽  
Elevated Temperatures ◽  
Neutron Powder Diffraction ◽  
Site Preference ◽  
A Site

AbstractThe crystal structure of a manganoan cummingtonite, composition [M4](Na0.13Ca0.41Mg0.46Mn1.00) [M1,2,3](Mg4.87Mn0.13)(Si8O22)(OH)2, (Z = 2), a = 9.5539(2) Å, b = 18.0293(3) Å, c = 5.2999(1) Å, β = 102.614(2)° from Talcville, New York, has been refined at high temperature using in situ neutron powder diffraction. The P21/m to C2/m phase transition, observed as spontaneous strains +ε1 = −ε2, occurs at ˜107°C. Long-range disordering between Mg2+ and Mn2+ on the M(4) and M(2) sites occurs above 550°C. Mn2+ occupies the M(4) and M(2) sites preferring M(4) with a site-preference energy of 24.6±1.5 kJ mol−1. Disordering induces an increase in XMnM2 and decrease in XMnM4 at elevated temperatures. Upon cooling, the ordered states of cation occupancy are ‘frozen in’ and strains in lattice parameters are maintained, suggesting that re-equilibration during cooling has not taken place.

scholarly journals Twinning in MAPbI3 at room temperature uncovered through Laue neutron diffraction

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Joachim Breternitz ◽  
Michael Tovar ◽  
Susan Schorr
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Neutron Diffraction ◽  
Room Temperature ◽  
Point Of View ◽  
Temperature Structure ◽  
Theoretical Point ◽  
Laue Diffraction ◽  
The Past ◽  
Halide Perovskites

Abstract The crystal structure of MAPbI3, the signature compound of the hybrid halide perovskites, at room temperature has been a reason for debate and confusion in the past. Part of this confusion may be due to twinning as the material bears a phase transition just above room temperature, which follows a direct group–subgroup relationship and is prone to twinning. Using neutron Laue diffraction, we illustrate the nature of twinning in the room temperature structure of MAPbI3 and explain its origins from a group-theoretical point-of-view.

Crystal structure, electrical, and thermal properties of Ca0.5Th0.5VO4

2009 ◽  
Vol 24 (12) ◽  
pp. 3551-3558 ◽  
Author(s):  
S.J. Patwe ◽  
S. Nagabhusan Achary ◽  
Avesh K. Tyagi
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Rietveld Refinements ◽  
Cell Parameters ◽  
Expansion Behavior ◽  
High Temperature Xrd ◽  
Zircon Type

Ca0.5Th0.5VO4 was prepared by a solid-state reaction of component oxides and characterized by powder x-ray diffraction (XRD) at ambient and higher temperatures and impedance spectroscopy. Crystal structure was refined by Rietveld refinements from powder XRD data. At room temperature, Ca0.5Th0.5VO4 has a zircon-type tetragonal (I41/amd) lattice with unit cell parameters: a = 7.2650(1) and c = 6.4460(1) Å. Despite the large charge difference, Ca2+ and Th4+ are statistically distributed over a single site. The crystal structure of Ca0.5Th0.5VO4 is built from the (Ca/Th)O8 (bisdisphenoid) and VO4 tetrahedra. The in situ high-temperature XRD studies on Ca0.5Th0.5VO4 revealed anisotropic thermal expansion behavior with coefficients of thermal expansion αc = 10.96 × 10−6/°C and αa = 5.32 × 10−6/°C. The impedance measurements carried out in the temperature range from ambient to 800 °C indicate semiconducting behavior with appreciable ionic conductivity above 400 °C. The activation energy obtained from the temperature-dependent AC conductivity data is ∼1.37 eV. In wider range of frequencies and temperatures, the relative permittivity of approximately 50 to 60 is observed for Ca0.5Th0.5VO4.

scholarly journals Time-resolved in situ neutron diffraction studies of Li-ion battery materials

2014 ◽  
Vol 70 (a1) ◽  
pp. C353-C353 ◽  
Author(s):  
Neeraj Sharma
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Electrochemical Process ◽  
Atomic Scale ◽  
Structure Evolution ◽  
Time Resolved ◽  
In Situ Neutron Diffraction

Lithium-ion batteries are ubiquitous in society, used in everything from children's toys to mobile electronic devices, providing portable power solutions. There is a continuous drive for the improvement of these batteries to meet the demands of higher power devices and uses. A large proportion of the function of lithium-ion batteries arises from the electrodes, and these are in turn mediated by the atomic-scale perturbations or changes in the crystal structure during an electrochemical process (e.g. battery use). Therefore, a method to both understand battery function and propose ideas to improve their performance is to probe the electrode crystal structure evolution in situ while an electrochemical process is occurring inside a battery. Our work has utilized the benefits of in situ neutron diffraction (e.g. sensitivity towards lithium) to literally track the time-resolved evolution of lithium in electrode materials used in lithium-ion batteries (see Figure 1). With this knowledge we have been able to directly relate electrochemical properties such as capacity and differences in charge/discharge behaviour of a battery to the content and distribution of lithium in the electrode crystal structure. This talk will showcase some of our in situ investigations of materials in lithium-ion batteries, such as LiCoO2, LiFePO4, Li1+yMn2O4, LiNi0.5Mn1.5O4 and Li4Ti5O12/TiO2 electrodes. In addition, selected examples of our work using time-resolved in situ X-ray diffraction to probe other batteries types, such as primary lithium and secondary (rechargeable) sodium-ion batteries will be presented. Using time-resolved diffraction data, a comprehensive atomic-scale picture of battery functionality can be modelled and permutations can be made to the electrodes and electrochemical conditions to optimize battery performance. Therefore, crystallography and electrochemistry can mesh together to solve our energy needs.

Dielectric properties of (NH4)2SO4 crystals in the range of electronic excitations

2009 ◽  
Vol 16 (2) ◽  
pp. 260-263 ◽  
Author(s):  
B. Andriyevsky ◽  
C. Cobet ◽  
A. Patryn ◽  
N. Esser
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Dielectric Properties ◽  
Large Temperature ◽  
Electronic Excitations ◽  
Temperature Dependent ◽  
Temperature Changes ◽  
The Real ◽  
Temperature Dependences ◽  
Simultaneous Decrease

Spectra of the real and imaginary parts of the pseudo-dielectric permittivity, 〈∊1〉(E) and 〈∊2〉(E), of ferroelectric ammonium sulfate crystals, (NH4)2SO4, have been measured in the range of electronic excitations 4.0 to 9.5 eV by ellipsometry using synchrotron radiation. Temperature dependences of the corresponding susceptibilities, 〈χ1〉(T) and 〈χ2〉(T), obtained for the photon energy E = 8.5 eV, related to excitations of oxygen p-electrons, reveal sharp peak-like temperature changes near the Curie point T C = 223 K. The large temperature-dependent increase of the imaginary part of the susceptibility χ2(T), together with a simultaneous decrease of the real part of the susceptibility χ1(T), take place at the phase transition. These anomalies have been ascribed mainly to the SO4 group of the crystal structure.

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