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Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…

Materials Science · Physics 2022-07-12 Simon Mellaerts , Jin Won Seo , Valeri Afanas'ev , Michel Houssa , Jean-Pierre Locquet

In this Article, we report on the observation of ferroelectric domain pattern in the whole volume of the ferroelectric barium titanate single crystal by means of the digital holographic microscopy (DHM). Our particular implementation of DHM…

Materials Science · Physics 2016-06-22 Pavel Mokry , Pavel Psota , Katerina Steiger , Jan Vaclavik , Roman Dolecek , David Vapenka , Vit Ledl

Ferroelectric charged domain walls are known for their high electrical conductivity, making them promising candidates for applications in modern electronics. A remarkably high conductivity and nominal charge density has been found in the…

Materials Science · Physics 2026-05-14 Petr S. Bednyakov , Iegor Rafalovskyi , Jiri Hlinka

Understanding the mechanisms and spatial correlations of crystallographic symmetry breaking in ferroelectric materials is essential to tuning their functional properties. While optical second harmonic generation (SHG) has long been utilized…

Materials Science · Physics 2022-08-10 Wei Li , Yunpeng Ma , Tianyi Feng , Sergei V. Kalinin , Jing-Feng Li , Qian Li

Ferroelectric materials display exotic polarization textures at the nanoscale that could be used to improve the energetic efficiency of electronic components. The vast majority of studies were conducted in two dimensions on thin films, that…

Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate description of the electronic processes and the thermodynamic…

Materials Science · Physics 2022-10-26 Lorenzo Gigli , Max Veit , Michele Kotiuga , Giovanni Pizzi , Nicola Marzari , Michele Ceriotti

Ferroelectric materials are the core of common technologies, such as medical ultrasound, mobile-phone antennae and low-power memory devices. The technological interest in ferroelectrics stems from the existence of switchable mesoscale…

Mesoscale and Nanoscale Physics · Physics 2019-04-01 Asaf Hershkovitz , Florian Johann , Maya Barzilay , Alon Hendler Avidor , Yachin Ivry

The accurate description of the structural and thermodynamic properties of ferroelectrics has been one of the most remarkable achievements of Density Functional Theory (DFT). However, running large simulation cells with DFT is…

Materials Science · Physics 2024-06-14 Lorenzo Gigli , Alexander Goscinski , Michele Ceriotti , Gareth A. Tribello

For Sn$_2$P$_2$S$_6$ ferroelectrics the second order phase transitions line is observed until reaching the tricritical point at transition temperature lowering to 250 K by compression. Observed temperature-pressure phase diagram agrees with…

Recently discovered 2D van der Waals magnetic materials, and specifically Iron-Germanium-Telluride ($\rm Fe_{5}GeTe_{2}$), have attracted significant attention both from a fundamental perspective and for potential applications. Key open…

Strontium titanate is a classic quantum paraelectric oxide material that has been widely studied in bulk and thin films. It exhibits a well-known cubic-to-tetragonal antiferrodistortive phase transition at 105 K, characterized by the…

The ferroelectric phase transition in barium titanate under pressure was studied within the framework of Landau-Ginzburg theory using differential scanning calorimetry. An innovative method for high-sensitive thermal measurements under…

Materials Science · Physics 2024-10-18 Olga Mazur , Ken-ichi Tozaki , Yukio Yoshimura , Leonid Stefanovich

Barium titanate (BaTiO$_3$) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this work, we develop a classical interatomic potential…

Materials Science · Physics 2016-11-23 Yubo Qi , Shi Liu , Ilya Grinberg , Andrew M. Rappe

We report experimentally achieving first-ever electric field periodic poling of single crystal barium titanate (BTO, or BaTiO3) thin film on insulator. Owing to the outstanding optical nonlinearities of BTO, this result is a key step…

Hexagonal BaTiO_3 undergoes a structural phase transition to an orthorhombic C222_1 phase at T_0 = 222 K. The transition is driven by a soft optical mode with E_2u symmetry whose couplings force the appearance of a spontaneous E_2g strain…

Materials Science · Physics 2007-05-23 Jorge Iniguez , Alberto Garcia , J. M. Perez-Mato

We demonstrate the integration of a thin BaTiO$_3$ (BTO) membrane with monolayer MoSe$_2$ in a dual gate device that enables in-situ manipulation of the BTO ferroelectric polarization with a voltage pulse. While two-dimensional (2D)…

Highly nonlinear optical phenomena can provide access to properties of electronic systems which are otherwise difficult to access through conventional linear optical spectroscopies. In particular, high harmonic generation (HHG) in…

Optics · Physics 2021-04-28 K. Uchida , V. Pareek , K. Nagai , K. M. Dani , K. Tanaka

The crystal structures and phonon spectra of orthorhombic cadmium titanate with the $Pbnm$ structure and of its two possible ferroelectrically distorted phases with $Pbn2_1$ and $Pb2_1m$ space groups were calculated from first principles…

Materials Science · Physics 2015-07-27 Alexander I. Lebedev

Controlling magnetism by using electric fields is a goal of research towards novel spintronic devices and future nano-electronics. For this reason, multiferroic heterostructures attract much interest. Here we provide experimental evidence,…

Multiferroicity can be induced in strontium titanate by applying biaxial strain, resulting in the coexistence of both ferroelectric and antiferrodistortive domains. The magnitude and sign of the strain imposed on the lattice by design can…

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