Article
Acoustics
Pilar Ochoa-Perez, Amador Miguel Gonzalez-Crespo, Alvaro Garcia-Lucas, Francisco Javier Jimenez-Martinez, Manuel Vazquez-Rodriguez, Lorena Pardo
Summary: Finite-element analysis (FEA) was used to study the impedance curves and modes of motion at resonance of nonstandard shear plates, thickness poled, and longitudinally excited. The study focused on an ecological, lead-free, piezoelectric ceramic composition and the material parameters were determined as complex quantities considering all material losses. The aim was to further understand and control the coupling of the main shear resonance and the lateral modes.
IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL
(2021)
Article
Engineering, Mechanical
Qian Wang, Hong-Ze Yan, Xian Zhao, Chun-Ming Wang
Summary: BaTiO3-based piezoelectric ceramics with tunable phase structures and good piezoelectric properties have been studied. The (1 - x)BaTiO(3-)xCaSnO(3) solid solutions were prepared and examined for their phase transitions, microstructure, dielectric, piezoelectric, and ferroelectric properties. The BT-0.08CS composition showed optimized piezoelectric properties with high piezoelectric coefficients.
Article
Chemistry, Inorganic & Nuclear
G. Gil-de-Cos, M. E. Torres, C. Gonzalez-Silgo, K. Soler-Carracedo, I. R. Martin, F. Rivera-Lopez, S. Rodriguez-Rodriguez
Summary: Powder samples of La2-xErx(MoO4)(3) series were prepared, and the correlation between ferroelectric properties and crystal structure was studied. Contrary to expectations, increasing Er3+ concentration enhanced the ferroelectric properties and increased the Curie temperature. This series exhibited a wider tuning range for ferroelectric properties compared to rare earth trimolybdates.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Review
Materials Science, Ceramics
Arun Singh, Shagun Monga, Neeraj Sharma, K. Sreenivas, Ram S. Katiyar
Summary: This article presents the features of ferroelectric materials, including their classification, phase transitions, and properties, as well as various hysteresis effects. It also explains in detail the piezoelectric, pyroelectric properties of the materials, and the applications of ferroelectric thin films with a specific focus on acousto-optic properties.
JOURNAL OF ASIAN CERAMIC SOCIETIES
(2022)
Article
Physics, Condensed Matter
A. S. Konstantinov, E. D. Linnik, A. G. Razumnaya, A. S. Mikheykin
Summary: In this study, the lattice dynamics and phase transition characteristics of BaxSr1-xTiO3 solid solution samples were investigated using Raman spectroscopy. The soft mode frequencies were found to be compositionally and temperature dependent. The behavior of the soft mode in the solid solution with x = 0.3 exhibited a temperature dependence similar to displacement-type transitions. The mechanism of titanium ion jumps changed from thermal over the potential barrier to tunneling under the barrier with increasing strontium concentration.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Materials Science, Ceramics
Zhi Tan, Jingwen Xi, Jie Xing, Bo Wu, Qiming Zhang, Qiang Chen, Jianguo Zhu
Summary: This study presents a systematic orientational average method using first-principle calculations to estimate the piezoelectric properties of polycrystalline ferroelectric materials. The method bridges the gap between single crystal and polycrystal ferroelectric materials and contributes to the further study of piezoelectric polycrystals. The piezoelectric properties of bismuth layer-structured ferroelectrics (BLSFs) are investigated using this method, revealing the importance of polarization stretching and slipping in BLSFs' piezoelectricity.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Maya Verma, Amit Tanwar, Divya Haridas, Sandeep Mahajan, Rashmi Menon, Sudhanshu Kumar, K. Sreenivas
Summary: This study investigates the influence of calcination temperature on the structural, dielectric, piezoelectric, and ferroelectric properties of strontium bismuth niobate ceramics. It is found that the sample calcined at 1000 degrees C exhibits the best performance with maximum orthorhombic distortion, minimum phase transition losses, and highest values of piezoelectric charge constant and remnant polarization. The results indicate that calcination temperature has a significant impact on the properties of the ceramics.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Chemistry, Multidisciplinary
Yun-Qin Li, Xian Zhang, Xiao Shang, Qi-Wen He, Dai-Song Tang, Xiao-Chun Wang, Chun-Gang Duan
Summary: The realization of multiferroic materials opens up possibilities for multifunctional electronic device design. However, the coupling between multiferroicity and piezoelectricity in Janus materials is rarely studied. In this study, a mechanism for manipulating valley physics in multiferroic and piezoelectric materials through magnetization reversing and ferroelectric switching is proposed. The results show that ferromagnetic VSiGeP4 monolayers exhibit large valley polarization that can be controlled by magnetization reversing, while antiferromagnetic VSiGeP4 bilayers with AB and BA stacking configurations allow the coexistence of valley polarization and ferroelectricity, supporting the proposed strategy for manipulating valley physics.
Article
Materials Science, Multidisciplinary
Juan-Nan Chen, Connie Kang, Rui-Min Hou, Xian Zhao, Chun-Ming Wang
Summary: The study reports the enhanced piezoelectric properties of gadolinium-modified Ca1-xGdxBi2Nb2O9 high Curie temperature polycrystalline ferroelectric ceramics. The optimized CBN-3Gd composition shows significantly improved electrical performance, making it a promising material for high-temperature piezoelectric sensor applications.
JOURNAL OF MATERIALS RESEARCH
(2021)
Article
Chemistry, Physical
Faysal Naeem, Mohsin Saleem, Hamid Jabbar, Gulraiz Tanvir, Fiza Asif, Abrar H. Baluch, Muhammad Irfan, Abdul Ghaffar, Adnan Maqbool, Tayyab Rafiq
Summary: This work successfully synthesized lead-free piezoelectric ceramics 0.74(Bi0.5Na0.5TiO3)-0.26(SrTiO3) (BNT-ST26) and niobium-substituted (Nb-BNT-ST26), and confirmed the effect of niobium substitution on the perovskite phase structure of BNT-ST26 ceramics through X-ray diffraction and Raman spectra. Electromechanical properties revealed that addition of 0.5% niobium resulted in the optimal piezoelectric performance and dielectric effect, making it suitable for high-temperature, stable, frequency-dependent, lead-free piezoelectric devices.
Article
Materials Science, Multidisciplinary
Evan M. Askanazi, Suhas Yadav, Ilya Grinberg
Summary: This study found that random forest (RF) method performs the best in predicting Curie temperature of ferroelectric systems, while support vector regression (SVR) is sensitive to hyperparameters and K-nearest neighbor (KNN) method shows poor accuracy with incomplete feature set. It is essential to carefully select input system, features, and machine learning methods for accurate model construction in materials science.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Aiden M. Ross, Long-Qing Chen
Summary: A thermodynamic model was developed for the Pb1-xSrxTiO3 solid solution system, considering both polarization and octahedral tilt, which successfully explained experimentally observed dielectric anomalies and constructed a comprehensive temperature-composition Pb1-xSrxTiO3 phase diagram.
Article
Physics, Condensed Matter
Layiq Zia, G. Hassnain Jaffari, Adeel Zafar, Jamil Ur Rahman, Soonil Lee
Summary: This study investigates the role of A-site chemical bonding in morphotropic phase boundary compositions of PbTiO3-BiFeO3 solid solutions. Ba substitution reduces the ferro-electric critical temperature and affects the structural parameters and free energy profile within the MPB regime. Ba substitution also leads to a reduction in grain size and growth. The presence of pinned defect dipoles is confirmed from room temperature elliptical hysteresis loops, providing unique insights into the system. Equivalent circuit analysis quantifies inter and intra grain contributions in the electrical response and compares them with the complex permittivity profile. The frequency and temperature-dependent ac conductivity responses are analyzed, and the observed conductivity is related to charge carrier hopping between vacant sites.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Crystallography
Ojars Martins Eberlins, Eriks Birks, Maija Antonova, Maris Kundzins, Maris Livins, Andris Sternberg
Summary: Promising results were obtained in studies of the electrocaloric effect in thin films recently. Therefore, studying this effect in bulk ferroelectrics at high applied electric field values has become an important task in the search for suitable materials for cooling devices based on the electrocaloric effect. This study investigated the electrocaloric effect in (1-x)(0.8Na(1/2)Bi(1/2)TiO(3)-0.2BaTiO(3))-xCaTiO(3) solid solutions using the direct method, with electric fields ranging from 0 to 100 kV/cm and temperatures up to 150 degrees C. The choice of starting composition was motivated by the high spontaneous polarization within the studied electric field range, and the addition of CaTiO3 helped reduce the depolarization temperature. The study found that the highest electrocaloric effect with a temperature change of Delta T = 1.0 degrees C was achieved in the composition with x = 0.050 at 100 degrees C, with a significant contribution from the entropy jump during the first-order phase transition induced by an electric field. The achievable Delta T decreased with increasing CaTiO3 concentration. Simultaneous measurements of polarization current and Delta T allowed for a comparison between the direct and indirect methods of measuring temperature change.
Article
Materials Science, Ceramics
Anlong Fan, Yining Zhai, Kangyu Zhong, Qi Gao, Lisha Liu, Jiaojiao Yi
Summary: This study enhances the performance of ferroelectric materials through the construction of phase boundaries. A high Curie temperature phase boundary was discovered in the solid solution films of BiFeO3 and BiInO3, and the macroscopic electrical properties were systematically studied. These results are important for a better understanding of BiFeO3-based solid solutions and the potential application of BiFeO3-based films in high-temperature devices.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Roman Schlem, Ananya Banik, Saneyuki Ohno, Emmanuelle Suard, Wolfgang G. Zeier
Summary: The study investigates the lithium sub-structure of Li3YCl6 and Li3YBr6 using neutron diffraction and compares the influence of different synthetic approaches on yttrium disorder and the surrounding lithium sub-structure. This work provides insights into the strong differences in ionic transport depending on the synthesis procedure of Li3MX6 materials.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Applied
Giada Beltrami, Francesco di Renzo, Ilaria Parodi, Alberto Alberti, Maria De Lourdes Guzman-Castillo, Francois Fajula, Emmanuelle Suard, Annalisa Martucci
Summary: For the first time, real-time thermal activation of NH4-omega zeolite was investigated using in situ synchrotron X-ray powder diffraction combined with neutron diffraction. The study revealed structural changes during activation, distribution of acid sites, and the number and location of Bronsted sites in the deuterated omega, providing insights into framework interactions.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Chemistry, Physical
Xabier Martinez de Irujo-Labalde, Alex Scrimshire, Paul A. Bingham, Emmanuelle Suard, Michael A. Hayward
Summary: Reaction between Na2FeSbO5 and LiNO3 produces metastable phase Li2FeSbO5, which further reacts with NO2BF4 to yield LiFeSbO5. Li2FeSbO5 consists of alternating layers of Li2Fe2O5 and Li2Sb2O5 containing Fe3+ and Sb5+. LiFeSbO5 has stable Fe5+ centers.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Adrien Soloy, Delphine Flahaut, Joachim Allouche, Dominique Foix, Germain Salvato Vallverdu, Emmanuelle Suard, Erwan Dumont, Lucille Gal, Francois Weill, Laurence Croguennec
Summary: The particle size has a significant impact on the electrochemical performance and reactivity of the layered oxide LiNi0.6Mn0.2Co0.2O2, with materials in the particle size range of 200-400 nm showing better reversible capacity and cyclability.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Electrochemistry
Anna Windmueller, Tatiana Renzi, Hans Kungl, Svitlana Taranenko, Emmanuelle Suard, Francois Fauth, Mathieu Duttine, Chih-Long Tsai, Ruoheng Sun, Yasin Emre Durmus, Hermann Tempel, Peter Jakes, Christian Masquelier, Ruediger-A. Eichel, Laurence Croguennec, Helmut Ehrenberg
Summary: Positive electrodes with high energy densities for Lithium-ion batteries often rely on toxic and costly transition metals. This study synthesized iron-based spinel materials and investigated their properties using various experimental methods. Unexpected results were observed and the relationship between material performance and electrolyte was also revealed.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Adrien Soloy, Delphine Flahaut, Jean-Bernard Ledeuil, Joachim Allouche, Dominique Foix, Germain Salvato Vallverdu, Emmanuelle Suard, Erwan Dumont, Lucille Gal, Francois Weill, Laurence Croguennec
Summary: This study provides a comprehensive characterization of the electrochemical performance, surface reactivity, composition, and structural changes of LiNi0.6Mn0.2Co0.2O2 positive electrode material during cycling at high potential.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Zheying Xu, Pardeep K. Thakur, Tien-Lin Lee, Anna Regoutz, Emmanuelle Suard, Ines Puente-Orench, Michael A. Hayward
Summary: This study synthesized LaCo0.5Rh0.5O2.25 and LaNi0.5Rh0.5O2.25 through topochemical reduction method, and found that LaCo0.5Rh0.5O2.25 exhibits a complex antiferromagnetic ground state, while LaNi0.5Rh0.5O2.25 shows no sign of long-range magnetic order.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Xabier Martinez de Irujo Labalde, Heather Grievson, Josie-May Mortimer, Samuel G. Booth, Alex Scrimshire, Paul A. Bingham, Emmanuelle Suard, Serena A. Cussen, Michael A. Hayward
Summary: Cation migration on electrochemical cycling significantly affects the performance of li-ion cathode materials. Partial substitution of Fe with In suppresses cation migration, allowing the material to be electrochemically cycled between two compositions.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Philippe Lacorre, Maud Barre, Sandrine Coste, Emmanuelle Suard, Francois Goutenoire
Summary: A new high-temperature polymorph was discovered after metastabilization, exhibiting large atomic displacement parameters and structural instability. Thermal analysis and X-ray thermodiffraction confirmed the existence of a phase transition between two closely mixed polymorphs at 440 degrees C. The structural derivation of the two high-temperature forms from a baryte-type structure was identified, along with a slight difference in the arrangement of their respective layers.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Ruijuan Yan, Chen Shen, Marc Widenmeyer, Ting Luo, Robert Winkler, Esmaeil Adabifiroozjaei, Ruiwen Xie, Songhak Yoon, Emmanuelle Suard, Leopoldo Molina-Luna, Hongbin Zhang, Wenjie Xie, Anke Weidenkaff
Summary: The density functional theory (DFT) calculations and experiments have confirmed that the 3d elements occupying the B position in ABC-type half-Heusler compounds are natural over-stoichiometry. In this work, Cu interstitial defects are intentionally introduced to optimize the electrical and thermal transport properties of ZrNiSn compound. The correlations between the phase structure, microstructure, and thermoelectric properties of ZrNiCuxSn (x = 0-0.20) are investigated using various techniques.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Physical
Nevill Gonzalez Szwacki, Piotr Fabrykiewicz, Izabela Sosnowska, Francois Fauth, Emmanuelle Suard, Radoslaw Przenioslo
Summary: The study demonstrates that the rutile phase of TiO2 has an orthorhombic symmetry instead of the commonly believed tetragonal symmetry. Through experimental and numerical methods, precise structural properties of rutile TiO2 are determined using a revised density functional method. The decrease in symmetry has a small but significant impact on the elastic, vibrational, and optical properties of rutile TiO2.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
A. Martucci, N. Precisvalle, E. Fois, M. Ardit, G. Beltrami, L. Pasti, M. Cescon, E. Suard, G. Tabacchi
Summary: The concentration and location of Bronsted acid sites (BASs) in deuterated L-zeolite were determined using neutron powder diffraction and ab-initio molecular dynamics modelling. Two Bronsted acid sites, D1 and D2, were identified, with D2 showing a large degree of mobility and D1 showing static disorder. The study also found that the O1 BAS had a higher Bronsted base character compared to the average basicity of the framework oxygens of the 12-membered ring channels.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Physical
Damian Goonetilleke, Bjoern Schwarz, Hang Li, Francois Fauth, Emmanuelle Suard, Stefan Mangold, Sylvio Indris, Torsten Brezesinski, Matteo Bianchini, Daniel Weber
Summary: This study investigates the evolution of point defects in a series of layered LiNiO2 (LNO) samples with varying lithiation by using synchrotron X-ray diffraction and neutron diffraction. It is found that crystal growth is inhibited by Li-Ni defects at low lithiation, and the particle size increases as Li-Ni defects disappear. Nuclear magnetic resonance reveals a Li environment not detected by diffraction methods at the high lithiation end. Magnetometry data shows that the ferrimagnetic-to-antiferromagnetic transition in LNO correlates with the elimination of Li-Ni defects. This study highlights the correlation between defect chemistry and physical properties, as well as the relationship to crystal growth, which is highly relevant for industrial battery cathode materials engineering.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Pawel Kozlowski, Piotr Fabrykiewicz, Izabela Sosnowska, Francois Fauth, Anatoliy Senyshyn, Emmanuelle Suard, Dariusz Oleszak, Radoslaw Przenioslo
Summary: The research shows that the gradual ferromagnetic spin reorientation occurs in hexagonal close packed cobalt (hcp-Co) phase between 230 degrees C and 330 degrees C, indicating that this phase does not possess hexagonal symmetry. This hypothesis is confirmed by synchrotron radiation diffraction and neutron diffraction on polycrystalline powder cobalt. The crystal structure of the hcp-type ordered areas of cobalt is described by the monoclinic symmetry, in which the hexagonal [001] axis is no longer perpendicular to the hexagonal layers.
Article
Chemistry, Physical
Blair F. Kennedy, Simon A. J. Kimber, Stefano Checchia, A. K. M. Ashiquzzaman Shawon, Alexandra Zevalkink, Emmanuelle Suard, Jim Buckman, Jan-Willem G. Bos
Summary: Using mixtures of aliovalent elements to achieve a valence balanced electronic state is a rapidly emerging area in half-Heusler thermoelectric materials research. The study introduces Zn0.5Ti0.5NiSb as a promising material that can be made p- and n-type by adjusting the Zn/Ti-ratio, achieving high zT values. Transport data and diffraction experiments reveal a low lattice thermal conductivity and similar weighted electronic mobilities, indicating the potential for similar zT values in both polarity types.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
