Domain dynamics engineering in ergodic relaxor ferroelectrics for dielectric energy storage

Y Li, W Lin, B Yang, S Zhang, S Zhao - Acta Materialia, 2023 - Elsevier
A trade-off relationship between large polarization and weak hysteresis always exists in
ferroelectric capacitors due to the dynamic characteristics of electric domains, which causes …

Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

S Lardhi, D Noureldine, M Harb, A Ziani… - The Journal of …, 2016 - pubs.aip.org
Density functional theory calculation was conducted to determine the optoelectronic
properties of bismuth titanate sillenite (Bi 12 TiO 20) and perovskite-like (Bi 4 Ti 3 O 12) …

Thermal expansion coefficient of nonstoichiometric gadolinium zirconate: First-principles calculations and experimental study

Q Chen, W Song, Y Xie, Z Yan, J Xu, F Gao - Journal of Physics and …, 2023 - Elsevier
A high thermal expansion coefficient (TEC) is highly desirable for a thermal barrier coating
material to prolong the life of the entire coating system. The TECs of Gd 2-x Zr 2+ x O 7+ 0.5x …

Ultra-high energy storage performance in Bi5Ti3Mg2/3Nb1/3O15 film induced by defect dipole engineering

Q Liu, R Wang, Z Tang, Y Wang, YP Zhou, F Guo… - Journal of Power …, 2024 - Elsevier
The rapid rate of charging and discharging, along with the high power density exhibited by
dielectric energy storage films, has attracted considerable attention. However, the limited …

Multiferroic and dielectric properties of Bi4LaTi3FeO15 ceramics

R Ti, F Huang, W Zhu, J He, T Xu, C Yue, J Zhao… - Ceramics …, 2015 - Elsevier
Abstract Single phase Bi 4 LaTi 3 FeO 15 ceramics with a four-layered Aurivillius structure
were synthesized by successfully inserting LaFeO 3 into Bi 4 Ti 3 O 12 matrix, and their …

Polarization rotation in by isovalent doping at the fluorite sublattice

K Co, FC Sun, SP Alpay, SK Nayak - Physical Review B, 2019 - APS
Bismuth titanate, Bi 4 Ti 3 O 12 (BiT), is a complex layered ferroelectric material that is
composed of three perovskitelike units and one fluoritelike unit stacked alternatively along …

Point defect formation in M2AlC (M = Zr,Cr) MAX phases and their tendency to disorder and amorphize

SH Shah, PD Bristowe - Scientific Reports, 2017 - nature.com
First principles calculations are performed on Zr2AlC and Cr2AlC MAX phases to compare
their ability to accommodate point defects under irradiation. Interatomic bonding is stronger …

Electronic structure and optical properties of La-doped KSr2Nb5O15: A first-principles investigation

Q Chen, F Gao, J Xu, S Cao, Y Guo, G Cheng - Ceramics International, 2019 - Elsevier
The electronic structure and the anisotropic optical properties of lanthanum doped in KSr 2
Nb 5 O 15 (KSN-La) were investigated by the first principles calculation dependent on the …

Effect of Bi3+, Ti4+ and Ta5+ doping on the thermoelectric properties of KSr2Nb5O15: A first-principles investigation

Q Chen, Y Xie, Z Yan, J Xu, F Gao - Materials Today Communications, 2023 - Elsevier
The enhancement of thermoelectric characteristics in tungsten bronze structural materials is
contingent upon the attainment of a high figure of merit (ZT) value. The first-principles …

First-principles calculations of defect formation energy and carrier concentration of Ti4+, Ta5+ and W6+ doped KSr2Nb5O15

Q Chen, R Zhang, J Xu, S Cao, Y Guo, Y Li… - Computational Materials …, 2020 - Elsevier
The formation enthalpy, chemical potential, defect formation energy and charge carrier
concentration of Ti 4+, Ta 5+ and W 6+ doped KSr 2 Nb 5 O 15 (KSN-Ti, KSN-Ta and KSN …