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From the 1 of 17 linked papers with an AI index.

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17 papers

cond-mat.mtrl-sci2026

Tilt-driven ferrielectricity in PbZrO

Huazhang Zhang, Ying Liu, Carson Carroll +6

The paper demonstrates that adding an octahedral tilt to the antiferroelectric PbZrO₃ structure breaks symmetry and creates a ferrielectric polar phase, confirmed by first‑principl…

cond-mat.mtrl-sci2026

Silicon-compatible ideal antiferroelectricity with large digital electromechanical responses enabled by thermal-strain domain engineering

Hao Xiong, Huazhang Zhang, Liang Shu +16

Antiferroelectrics exhibit reversible antipolar-polar transformations, offering a compelling platform for multiple functionalities in modern nanoelectronics, yet deterministic cont…

cond-mat.mtrl-sci2026

Unlocking Static Polarization and Strain Density Waves in Perovskites by Softening a Hidden Antiferrodistortive Tilt Gradient Mode

Yajun Zhang, Devesh R. Kripalani, Xu He +9

Spin density waves (SDWs) represent a fundamental paradigm of spatially modulated order in condensed matter systems, yet their electrical and mechanical analogues polarization and…

cond-mat.mtrl-sci2026

First-order polarization process as an alternative to antiferroelectricity

Louis Bastogne, Lukas Korosec, Evgenios Stylianidis +6

Antiferroelectrics generate significant interest since their polarization versus electric field (PE) curves show typical double-hysteresis loops appealing for various applications.…

cond-mat.mtrl-sci2025

Finite-temperature properties and the hidden ferroelectric phase of bulk CaTiO from second principles

Huazhang Zhang, Michael Marcus Schmitt, Louis Bastogne +2

A second-principles effective interatomic potential is introduced for the prototypical perovskite CaTiO (CTO), relying on a Taylor polynomial expansion of the Born-Oppenheimer…

cond-mat.mtrl-sci2025

Mechanical coupling of polar topologies and oxygen octahedra rotations in PbTiO/SrTiO superlattices

Fernando Gómez-Ortiz, Louis Bastogne, Xu He +1

PbTiO/SrTiO artificial superlattices recently emerged as a prototypical platform for the emergence and study of polar topologies. While previous studies mainly focused on t…