Electrical Energy Storage From First Principles [* Cross-Reference *]

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Zhijun Jiang; Bin Xu; Sergey Prosandeev; Jorge Íñiguez; Hongjun Xiang; L. Bellaïche, 2026, "Electrical Energy Storage From First Principles [* Cross-Reference *]", https://lore.list.lu/citation?persistentId=perma:LIST.RI44ML, LIST Open Repository, V1
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Description
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-based effective Hamiltonian approaches to the study of energy storage in ferroelectrics, lead-free antiferroelectrics, relaxor ferroelectrics, and nitride semiconductors. Specifically, these approaches are used to investigate the energy density and efficiency in perovskite BaTiO 3 , PbTiO 3 , and KNbO 3 ferroelectrics; Bi 1− x R x FeO 3 antiferroelectric solid solutions (where R is a rare-earth ion); Ba(Zr,Ti)O 3 relaxor ferroelectrics; and epitaxial AlN/ScN superlattices. Ultrahigh energy densities and efficiencies are predicted in some of these compounds. In addition, phenomenological models are used to analyze and understand these energy storage results. Consequently, the numerical methods and simple models detailed here can be easily employed to design novel nonlinear dielectrics with further enhanced energy storage performance. (2022-03-29)
***This entry has been automatically imported via OpenAlex by LIST harvest scripts. Please refer to https://doi.org/10.3389/femat.2022.869803 for the original and latest version of the publication*** (2026-07-01)
Subject Engineering; Physics
Keyword Materials science, Energy storage, Capacitor, Dielectric, Antiferroelectricity, Superlattice, Hamiltonian (control theory), Semiconductor, Engineering physics, Condensed matter physics, Optoelectronics, Ferroelectricity, Voltage, Thermodynamics, Physics, Quantum mechanics
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