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The correlation between the shift current mechanism for the bulk photovoltaic effect (BPVE) and the structural and electronic properties of ferroelectric perovskite oxides is not well understood. Here, we study and engineer the shift…

Materials Science · Physics 2015-03-03 Fenggong Wang , Steve M. Young , Fan Zheng , Ilya Grinberg , Andrew M. Rappe

The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitised and organic photovoltaics. High power conversion efficiency can be realised in both mesoporous and thin-film device…

The optical control of domain structures in ferroelectrics is of great interest. In the present work, we demonstrate the reliable creation of charged domain walls - conductive channels in otherwise insulating barium titanate - by a combined…

Materials Science · Physics 2026-05-07 P. S. Bednyakov , P. V. Yudin , A. K. Tagantsev , J. Hlinka

We explore the ferroic properties of methylammonium lead iodide perovskite solar cells by Piezoresponse Force Microscopy (PFM). In vertical and horizontal PFM imaging, we find domains of alternating polarization with a width of 90 nm which…

Materials Science · Physics 2026-05-11 Holger Röhm , Tobias Leonhard , Michael J. Hoffmann , Alexander Colsmann

We present a first-principles density functional study of the structural, electronic and magnetic properties of the ferroelectric domain walls in multiferroic BiFeO3. We find that domain walls in which the rotations of the oxygen octahedra…

Materials Science · Physics 2021-04-06 A. Lubk , S. Gemming , N. A. Spaldin

The past several years has witnessed a surge of interest in organometallic trihalide perovskites, which are at the heart of the new generation of solid-state solar cells. Here, we calculated the static conductivity of charged domain walls…

Materials Science · Physics 2015-03-12 Sergey N. Rashkeev , Fedwa El-Mellouhi , Sabre Kais , Fahhad H. Alharbi

Domain walls in ferroelectrics exhibit a plethora of phases and functionalities not found in the bulk. The interplay of electrostatic, chemical, topological, and distortive inhomogeneities at the walls can be so complex, however, that this…

Mesoscale and Nanoscale Physics · Physics 2017-02-23 Gabriele De Luca , Marta D. Rossell , Jakob Schaab , Nathalie Viart , Manfred Fiebig , Morgan Trassin

Halide perovskites have emerged as promising materials for next-generation photovoltaics, laser sources and X-ray detectors. There is intense debate as to whether some photoactive halide perovskites exhibit ferroelectric behaviour and…

Materials Science · Physics 2026-01-21 Weilun Li , Qimu Yuan , Michael B. Johnston , Joanne Etheridge

Domain walls in ferroelectric oxides provide fertile ground for the development of next-generation nanotechnology. Examples include domain-wall-based memory, memristors, and diodes, where the unusual electronic properties and the quasi-2D…

Interfacial ferroelectricity offers a promising platform for ultrafast, low-power memory devices. While previous studies have demonstrated the importance of domain wall in polarization switching, the coexistence of various domain wall types…

Materials Science · Physics 2025-12-24 Hao-Wen Xu , Wen-Cheng Fan , Jun-Ding Zheng , Cheng-Shi Yao , Ni Zhong , Wen-Yi Tong , Chun-Gang Duan

The switching of electric polarization induced by electric fields -a fundamental functionality of ferroelectrics- is closely associated with the motions of the domain walls that separate regions with distinct polarization directions.…

Materials Science · Physics 2014-01-10 F. Kagawa , S. Horiuchi , N. Minami , S. Ishibashi , K. Kobayashi , R. Kumai , Y. Murakami , Y. Tokura

Ferroelectric photovoltaic materials are an alternative to semiconductor-based photovoltaics and offer the advantage of above bandgap photovoltage generation. However, there are few known compounds, and photovoltaic efficiencies remain low.…

Materials Science · Physics 2018-01-31 A. S. Makhort , F. Chevrier , D. Kundys , B. Doudin , B. Kundys

Ferroelectrics usually adopt a multi-domain state with domain walls separating domains with polarization axes oriented differently. It has long been recognized that domain walls can dramatically impact the properties of ferroelectric…

Materials Science · Physics 2017-03-15 Shi Liu , R. E. Cohen

Interrelations of domain wall (extrinsic) contributions to dielectric, piezoelectric and mechanical properties of ferroic samples are a hot subject of both theoretical and experimental research. Recently,we have derived theoretical formulas…

Materials Science · Physics 2007-05-23 A. Kopal , P. Mokry

Ferroelectric anomalous photovoltaic (APV) effect, as a fascinating physical conceptual phenomenon, holds significant potentials for new optoelectronic device applications. However, due to the knowledge lacking on the origin and underlying…

Materials Science · Physics 2025-09-04 Linjie Wei , Fu Li , Yi Liu , Hongbin Zhang , Junhua Luo , Zhihua Sun

Lead halide perovskites have emerged as promising materials for optoelectronic applications due to their exceptional properties. In the all-inorganic CsPbBr3 perovskites, ferroelastic domains formed during phase transitions enhance bulk…

Using an experimental setup designed to scan a submicron sized light spot and collect the photogenerated current through larger electrodes, we map the photovoltaic response in ferroelectric BiFeO3 single crystals. We study the effect…

Materials Science · Physics 2016-09-21 C Blouzon , J-Y Chauleau , A Mougin , S Fusil , M Viret

Domain walls are the topological defects that mediate polarization reversal in ferroelectrics, and they may exhibit quite different geometric and electronic structures compared to the bulk. Therefore, a detailed atomic-scale understanding…

Materials Science · Physics 2017-01-12 Meng Ye , David Vanderbilt

Modulating the polarization of a beam of quantum particles is a powerful method to tailor the macroscopic properties of the ensuing energy flux as it directly influences the way in which its quantum constituents interact with other…

Materials Science · Physics 2017-10-03 Miquel Royo , Carlos Escorihuela-Sayalero , Jorge Íñiguez , Riccardo Rurali

First-principles calculations for pristine neutral ferroelectric domain walls in BiFeO$_3$ reveal that excess electrons are selectively trapped by the domain walls, while holes are only weakly attracted. Such trapped excess electrons may be…

Materials Science · Physics 2018-10-03 Sabine Körbel , Jirka Hlinka , Stefano Sanvito
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