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The functionality of ferroelectrics is often constrained by their Curie temperature, above which depolarization occurs. Lithium (Li) is the only experimentally known substitute that can increase the Curie temperature in ferroelectric…

Future quantum computing architectures require electro-optic materials that maintain a strong, stable performance at cryogenic temperatures. In conventional electro-optic materials, large electro-optic coefficients are often confined to…

Due to critical environmental issues there is a pressing need to switch from current refrigeration methods based on compression of greenhouse gases to novel solid-state cooling technologies. Solid-state cooling capitalizes on the thermal…

Materials Science · Physics 2022-08-11 Claudio Cazorla

Giant electrocaloric (EC) effect is observed in BaTiO3 multilayer thick film structure. The temperature change is as high as 4.0 oC under an applied electric field of 352 kV/cm. Most importantly, the EC effect is found to depend on the…

Materials Science · Physics 2015-05-18 Yang Bai , Guang-Ping Zheng , San-Qiang Shi

The magnetocaloric effect in exchange-coupled synthetic-antiferromagnet multilayers is investigated experimentally and theoretically. We observe a temperature-controlled inversion of the effect, where the entropy increases on switching the…

Mesoscale and Nanoscale Physics · Physics 2021-09-17 D. M. Polishchuk , M. Persson , M. M. Kulyk , E. Holmgren , G. Pasquale , A. Ullah , R. Skomski , V. Korenivski

This work aims to understand how quantum mechanics affects heat transport at low temperatures. In the classical setting, by considering a simple paradigmatic model, our simulations reveal the emergence of Negative Differential Thermal…

Statistical Mechanics · Physics 2026-02-17 Zhixing Zou , Jiangbin Gong , Jiao Wang , Giulio Casati , Giuliano Benenti

Due to critical environmental and technological issues, there is a pressing need to switch from current refrigeration methods based on compression of gases to novel solid-state cooling technologies. Solid-state cooling is based on the…

Materials Science · Physics 2020-05-12 Claudio Cazorla

An atomistic effective Hamiltonian is used to investigate electrocaloric (EC) effects of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PMN) relaxor ferroelectrics in its ergodic regime, and subject to electric fields applied along the pseudocubic [111]…

Materials Science · Physics 2018-04-03 Zhijun Jiang , Y. Nahas , S. Prokhorenko , S. Prosandeev , D. Wang , Jorge Íñiguez , L. Bellaiche

We report on the dielectric and electrocaloric properties of Ba$_{1-y}$Ca$_y$Ti$_{1-x}$Hf$_x$O$_3$ for compositions $0.12<x<0.18$ and $y=0.06$, as well as $x=0.15$ and $0<y<0.15$, synthesized by the conventional solid-state reaction method.…

Materials Science · Physics 2023-08-23 David Gracia , Sara Lafuerza , Javier Blasco , Marco Evangelisti

Using path-integral Monte Carol simulations and an ab initio effective Hamiltonian, we study the effects of quantum fluctuations on structural phase transitions in the cubic perovskite compounds SrTiO3 and BaTiO3. We find quantum…

mtrl-th · Physics 2009-10-28 W. Zhong , David Vanderbilt

We consider a quantum system of non-interacting fermions at temperature T, in the framework of linear response theory. We show that semiclassical theory is an appropriate framework to describe some of their thermodynamic properties, in…

Mathematical Physics · Physics 2009-11-07 Monique Combescure , Didier Robert

We use molecular dynamics with a first-principles-based shell model potential to study the electrocaloric effect (ECE) in lithium niobate, LiNbO$_3$, and find a giant electrocaloric effect along a line passing through the ferroelectric…

Materials Science · Physics 2012-11-08 Maimon C. Rose , R. E. Cohen

Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in the ferroelectric tetragonal phase as a function of temperature. The effect…

Materials Science · Physics 2009-10-30 Alberto Garcia , David Vanderbilt

Self - consistent temperature dependence of the average magnetization in quantum Heisenberg ferromagnet is obtained as a first approximation of perturbation theory on an inverse radius by application of the functional method for quantum…

Condensed Matter · Physics 2007-05-23 E. V. Podivilov

Thermal excitations typically reduce the electric polarization in ferroelectric materials. Here, we show by means of first-principles calculations that multiferroic BiFe$_{1-x}$Co$_{x}$O$_{3}$ solid solutions with $0.25 \le x \le 0.50$…

Materials Science · Physics 2020-09-16 Cesar Menendez , Claudio Cazorla

Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldable. However, the mechanisms of ferroelectric switching and…

Chemical Physics · Physics 2021-06-18 Xiaoqing Zhu , Wenbin Fan , Wei Ren , Yongle Li

The discoveries of two-dimensional ferromagnetism and magnetic semiconductors highly enrich the magnetic material family for constructing spin-based electronic devices but with an acknowledged challenge that the Curie temperature (Tc) is…

Quantum effects of lattice vibration play a major role in many physical properties of condensed matter systems, including thermal properties such as specific heat, structural phase transition, as well as phenomena such as quantum crystal…

Materials Science · Physics 2025-05-30 Hongyu Wu , Ri He , Yi Lu , Zhicheng Zhong

Recent developments in nanoscale experimental techniques made it possible to utilize single molecule junctions as devices for electronics and energy transfer with quantum coherence playing an important role in their thermoelectric…

Mesoscale and Nanoscale Physics · Physics 2018-03-12 Feng Chen , Yi Gao , Michael Galperin

Different methods to extract the temperature and density in heavy ion collisions are compared using a statistical model tailored to reproduce many experimental features at low excitation energy. The model assumes a sequential decay of an…

Nuclear Theory · Physics 2014-11-04 H. Zheng , G. Bonasera , J. Mabiala , P. Marini , A. Bonasera