Local structural heterogeneity and electromechanical responses of ferroelectrics: learning from relaxor ferroelectrics
Long‐range ordering of dipoles is a key microscopic signature of ferroelectrics. These
ordered dipoles form ferroelectric domains, which can be reoriented by electric fields …
ordered dipoles form ferroelectric domains, which can be reoriented by electric fields …
Perovskite Sr1–x(Na0.5Bi0.5)xTi0.99Mn0.01O3 Thin Films with Defect Dipoles for High Energy-Storage and Electrocaloric Performance
Y Zhang, W Li, Z Wang, Y Qiao, H Xia… - … Applied Materials & …, 2019 - ACS Publications
Dielectric capacitors have received more and more attention because of fast
charge/discharge capability. However, the energy-storage performance still cannot meet the …
charge/discharge capability. However, the energy-storage performance still cannot meet the …
Mechanisms of pyroelectricity in three-and two-dimensional materials
J Liu, ST Pantelides - Physical Review Letters, 2018 - APS
Pyroelectricity is a very promising phenomenon in three-and two-dimensional materials, but
first-principles calculations have not so far been used to elucidate the underlying …
first-principles calculations have not so far been used to elucidate the underlying …
Quantum criticality at cryogenic melting of polar bubble lattices
Quantum fluctuations (QFs) caused by zero-point phonon vibrations (ZPPVs) are known to
prevent the occurrence of polar phases in bulk incipient ferroelectrics down to 0 K. On the …
prevent the occurrence of polar phases in bulk incipient ferroelectrics down to 0 K. On the …
Pyroelectric Effect in Tetragonal Ferroelectrics BaTiO3 and KNbO3 Studied with Density Functional Theory
K Eklund, AJ Karttunen - The Journal of Physical Chemistry C, 2023 - ACS Publications
We present a computational methodology for investigating the pyroelectric properties of
anharmonic crystalline ferroelectrics. The description of phonon properties and …
anharmonic crystalline ferroelectrics. The description of phonon properties and …
The emergence of tunable negative electrocaloric effect in ferroelectric/paraelectric superlattices
Y Ji, WJ Chen, Y Zheng - Journal of Physics D: Applied Physics, 2020 - iopscience.iop.org
The electrocaloric effect in ferroelectrics provides a promising solid-state refrigeration
technology to meet the urgent demand for heat management in the integrated circuits …
technology to meet the urgent demand for heat management in the integrated circuits …
Giant direct and inverse electrocaloric effects in multiferroic thin films
Refrigeration systems based on the compression of greenhouse gases are environmentally
threatening and cannot be scaled down to on-chip dimensions. In the vicinity of a phase …
threatening and cannot be scaled down to on-chip dimensions. In the vicinity of a phase …
The ignored effects of vibrational entropy and electrocaloric effect in PbTiO3 and PbZr0. 5Ti0. 5O3 as studied through first-principles calculation
In an isothermal process, applying an electric field E to a ferroelectric material can change
its entropy S through two distinct mechanisms: namely, through changing the dipole …
its entropy S through two distinct mechanisms: namely, through changing the dipole …
Giant electrocaloric response in the prototypical Pb(Mg,Nb) relaxor ferroelectric from atomistic simulations
Z Jiang, Y Nahas, S Prokhorenko, S Prosandeev… - Physical Review B, 2018 - APS
An atomistic effective Hamiltonian is used to investigate electrocaloric (EC) effects of Pb (Mg
1/3 Nb 2/3) O 3 relaxor ferroelectrics in its ergodic regime, and subject to electric fields …
1/3 Nb 2/3) O 3 relaxor ferroelectrics in its ergodic regime, and subject to electric fields …
Electrical energy storage from first principles
Dielectric capacitors are particularly suitable to store the electrical energy of a fast-changing
nature. Here, we present a review of recent applications of first principles and first-principles …
nature. Here, we present a review of recent applications of first principles and first-principles …