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We report nearly single phase Pb(Zr0.14Ti0.56Ni0.30)O3-delta(PZTNi30) ferroelectric having large remanent polarization (15-30 {\mu}C/cm2), 0.3-0.4 V open circuit voltage (VOC), reduced band gap (direct 3.4 eV, and indirect 2.9 eV), large ON…

Materials Science · Physics 2014-03-04 Shalini Kumari , Nora Ortega , Ashok Kumar , J. F. Scott , R. S. Katiyar

The application of ferroelectric materials (i.e. solids that exhibit spontaneous electric polarisation) in solar cells has a long and controversial history. This includes the first observations of the anomalous photovoltaic effect (APE) and…

Materials Science · Physics 2015-03-06 Keith T. Butler , Jarvist M. Frost , Aron Walsh

This paper presents a study of dc photocurrents in biased insulators to the third order in the electric field. We find three photocurrents which are characterized by physical divergences of the third-order free-electron polarization…

Mesoscale and Nanoscale Physics · Physics 2019-08-07 Benjamin M. Fregoso

The rectified bulk photovoltaic effect (BPVE) in noncentrosymmetric semiconductors, also called shift current, is considered promising for optoelectronic devices, terahertz emission and possibly solar energy harvesting. A clear…

Materials Science · Physics 2025-02-11 Urmimala Dey , Jeroen van den Brink , Rajyavardhan Ray

We calculate the shift current response, which has been identified as the dominant mechanism for the bulk photovoltaic effect, for the polar compounds LiAsS$_\text{2}$, LiAsSe$_\text{2}$, and NaAsSe$_\text{2}$. We find that the magnitudes…

Materials Science · Physics 2014-12-04 John A. Brehm , Steve M. Young , Fan Zheng , Andrew M. Rappe

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

The bulk photovoltaic effect (BPVE), arising from broken inversion symmetry in ferroelectrics, offers a distinct pathway toward high-efficiency next-generation photovoltaics. We propose and investigate A/A$^\prime$-ordered double…

Materials Science · Physics 2025-11-11 Sathiyamoorthy Buvaneswaran , Trilochan Sahoo , Saurabh Ghosh

Ferroelectric and photovoltaic properties of BiFeO3/LaFeO3 superlattices grown by pulsed laser deposition have been investigated being the bilayer thickness). For a high concentration of BiFeO3 a ferroelectric state is observed…

Materials Science · Physics 2020-12-11 J. Belhadi , S. Yousfi , M. El Marssi , D. C. Arnold , H. Bouyanfif

Optimal materials to induce bulk photovoltaic effects should lack inversion symmetry and have an optical gap matching the energies of visible radiation. Ferroelectric perovskite oxides such as BaTiO$_3$ and PbTiO$_3$ exhibit substantial…

Materials Science · Physics 2017-08-21 Hanghui Chen , Andrew J. Millis

Photogalvanic effect (PGE) occurs in materials with non-centrosymmetric structures when irradiated by linearly or circularly polarized light. Here, using non-equilibrium Green's function combined with density functional theory (NEGF-DFT),…

Materials Science · Physics 2023-05-26 Li-Wen Zhang , Ya-Qing Yang , Jun Chen , Lei Zhang

The bulk photovoltaic effect (BPVE) has attracted an increasing interest due to its potential to overcome the efficiency limit of traditional photovoltaics, and much effort has been devoted to understanding its underlying physics. However,…

Materials Science · Physics 2022-01-05 Zhenbang Dai , Andrew M. Rappe

Bulk photovoltaic effect, which arises from crystal symmetry-driven charge carrier separation, is an intriguing physical phenomenon that has attracted extensive interest in photovoltaic application due to its junction-free photovoltaic and…

Materials Science · Physics 2023-08-22 Xiaojuan Chen , Kang Xu , Tingxiao Qin , Yubin Wang , Yuzhong Chen , Haiyun Liu , Qihua Xiong

The shift current photovoltaic effect is conventionally understood as the real-space displacement of a wave packet induced by photoexcitation. However, this interpretation becomes insufficient in flat-band systems, where quasiparticles are…

Materials Science · Physics 2025-02-25 Zhuocheng Lu , Zhihao Gong , Jingshan Qi , Hua Wang , Kai Chang

Halide perovskites have outstanding photovoltaic properties which have been optimized through interfacial engineering. However, as these materials approach the limits imposed by the physics of semiconductor junctions, it is urgent to…

Materials Science · Physics 2023-01-05 Zhiguo Wang , Shengwen Shu , Xiaoyong Wei , Renhong Liang , Shanming Ke , Longlong Shu , Gustau Catalan

Noncentrosymmetric bulk crystals generate photocurrent without any bias voltage. One of the dominant mechanisms, shift current, comes from a quantum interference of electron wave functions being distinct from classical current caused by…

Materials Science · Physics 2018-12-17 M. Nakamura , H. Hatada , Y. Kaneko , N. Ogawa , Y. Tokura , M. Kawasaki

We use a first-principles density functional theory approach to calculate the shift current and linear absorption of uniformly illuminated single-layer Ge and Sn monochalcogenides. We predict strong absorption in the visible spectrum and a…

Mesoscale and Nanoscale Physics · Physics 2017-08-29 Tonatiuh Rangel , Benjamin M. Fregoso , Bernardo S. Mendoza , Takahiro Morimoto , Joel E. Moore , Jeffrey B. Neaton

The bulk photovoltaic effect (BPVE) leads to directed photo-currents and photo-voltages in bulk materials. Unlike photo-voltages in p-n junction solar cells that are limited by carrier recombination to values below the bandgap energy of the…

Applied Physics · Physics 2023-03-17 Andreas Pusch , Udo Römer , Dimitrie Culcer , Nicholas J. Ekins-Daukes

The bulk photovoltaic effect (BPVE), a manifestation of broken centrosymmetry, has attracted interest as a probe of the symmetry and quantum geometry of materials, and for use in novel optoelectronic devices. Despite its bulk nature, the…

The ferroelectric polarization of perovskite oxides is much larger than implied by displacement of static ionic charges. We use an explicitly correlated scheme to investigate the phenomenon; charge transport is evaluated as a geometric…

Condensed Matter · Physics 2012-07-07 R. Resta , S. Sorella

Bulk photovoltaic effect is a non-linear response in noncentrosymmetric materials that converts light into DC current. In this work, we investigate the optical linear and non-linear responses in a chalcopyrite semiconductor ZnGeP$_2$. We…

Materials Science · Physics 2024-10-15 Banasree Sadhukhan