Large Elasto-Optic Effect in Epitaxial<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>PbTiO</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>Films

Chen, Lan; Yang, Yurong; Gui, Zhigang; Sando, Daniel; Bibès, Manuel; Meng, X. K.; Bellaïche, L.

doi:10.1103/physrevlett.115.267602

Cited by 38 publications

(41 citation statements)

References 58 publications

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“…These crystallographic phases are consistent with previous investigations. 24,25 Then, we probe the stable configurations of the excess electrons in epitaxial (001) BaTiO 3 by calculating the self-trapping energy E form of the polaron, which is defined as the energy difference between the polaronic (E p ) and free-carrier states (E f ), i.e., E form = E p − E f . The evolution of the self-trapping energy of the polaron with respect to the epitaxial strain is depicted in Fig.…”

Section: Resultsmentioning

confidence: 99%

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Shimada

Araki

et al. 2019

npj Comput Mater

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The coexistence of ferroelectricity, conductivity, and magnetism in a single-phase material has attracted considerable attention due to fundamental interest and tremendous technological potential. However, their mutually exclusive mechanisms hinder the discovery of multifunctional conducting multiferroics. Here, we propose a new material design approach for electron engineering to enable these conflicting properties to coexist. We use first principles calculations to demonstrate that appropriate mechanical strain can turn the excess electrons in doped BaTiO 3 from a free-carrier configuration to a localized polaronic state by modulating the electron-phonon coupling. The resulting localized spin-polarized electron survives the host ferroelectricity and consequently manifests as a multiferroic polaron. The multiferroic properties coexist with the electronic conductivity arising from the highhopping mobility of the polaron, which enables the doped epitaxial BaTiO 3 to act as a multiferroic conducting material. This mechanical control over the electron configuration is a potential path toward unusual coexisting properties.

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Section: Resultsmentioning

confidence: 99%

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Shimada

Araki

et al. 2019

npj Comput Mater

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“…The ultra-thin ferroelectric (FE) films are obviously the most useful structure for exploring new physics and realizing device applications, such as FE transistors and memories 1 . To date most works on ferroelectrics have focused on perovskite oxides, such as PbTiO 3 and BaTiO 3 [2][3][4][5][6][7][8][9] . Unfortunately, their ferroelectricity is extremely sensitive to vertical boundary conditions 10,11 .…”

Section: Introductionmentioning

confidence: 99%

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

2017

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Vertically (off-plane) ferroelectric ordering in ultra-thin films has been pursued for decades. We predict the existence of intrinsic vertical polarization orderings in ultra-thin metal chalcogendiphosphates (MCDs). Taking CuInP2Se6 as an example, the first-principles calculation and electrostatic-energy model show that, under the open-circuit boundary condition, the ground state of bulk CuInP2Se6 is ferroelectric (FE) while that of monolayer is antiferroelectric (AFE), and the critical thickness for this FE/AFE transition is around 6 layers. Interestingly, under the closedcircuit boundary condition, the FE state can hold even for monolayer. Particularly, because of the small energy difference but the large barrier between FE and AFE orderings, the FE state can be stabilized in free-standing monolayer, giving rise to intrinsic, off-plane two-dimensional ferroelectrics. Applying Monte Carlo simulations, we further calculate the ferroelectric Curie temperature (Tc) and electric hysteresis.

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“…[2] BFO is part of a larger family of ferroelectric oxides, important compounds that are relevant in the fields of optical modulation, [3] data storage, [4,5] actuation, [6] and sensing. [8][9][10] Epitaxial strain [11] is a powerful tool in this context: tuning the structure of thin films by strain can bring about, for example, strong modification of ferroelectric polarization and transition temperatures, [12] spin configurations, [13] and magnetic and magneto-transport properties. [8][9][10] Epitaxial strain [11] is a powerful tool in this context: tuning the structure of thin films by strain can bring about, for example, strong modification of ferroelectric polarization and transition temperatures, [12] spin configurations, [13] and magnetic and magneto-transport properties.…”

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confidence: 99%

Revisiting the Optical Band Gap in Epitaxial BiFeO₃ Thin Films

Sando

Carrétéro

Grisolia

et al. 2017

Advanced Optical Materials

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the pursuit of electric-field-controlled magnetism. [2] BFO is part of a larger family of ferroelectric oxides, important compounds that are relevant in the fields of optical modulation, [3] data storage, [4,5] actuation, [6] and sensing. [7] While many of these established applications are based on bulk samples (either single crystals or ceramics), there has recently been a substantial drive to exploit and enhance the desirable functional properties of ferroelectric oxides in thin film form. [8][9][10] Epitaxial strain [11] is a powerful tool in this context: tuning the structure of thin films by strain can bring about, for example, strong modification of ferroelectric polarization and transition temperatures, [12] spin configurations, [13] and magnetic and magneto-transport properties. [14] A wide range of remarkable functionalities has been shown in BFO thin films, [15] such as a tuneable ferroelectric domain structure, [16] strongly strain-dependent magnetic structure, [17] and electric-field sensitive magnetic functionalities. [18,19] While the bulk parent compound of BFO is rhombohedral (R'), a peculiar aspect of thin film BFO is the formation, under strong (≈4%) compressive strain, of a giant axial ratio tetragonal-like (T') polymorph. [20,21] This change in structure is concomitant with a modification of the oxygen coordination (from octahedral to square pyramidal) and drastic changes in optical [22] and piezoelectric responses, [23] and magnetic properties. [24] From an optical point of view, BFO has a band gap that is rather low for ferroelectric oxides, [25] and it exhibits a significant bulk photovoltaic effect, [26] pushing it into the realm of optical research in the hope of using it in energy harvesting, photocatalysis or optical devices. [22] Given the significant general interest of ferroelectrics for photovoltaic applications, [27] it is important to obtain a stronger understanding of the influence of growth parameters and other factors on the optical properties of BFO thin films. In addition, significant size effects, related to microstrain and oxygen content, have been shown to influence the optical response of BFO nanoparticles. [28] Although a large body of literature regarding optical properties (particularly the band gap) for BFO in the form of thin films exists, there is a large dispersion in the data, with reported values for R' BFO ranging from 2.65 to 2.82 eV. For A detailed structural and optical band gap characterization study for more than 40 epitaxial bismuth ferrite (BiFeO 3 -BFO) thin films, measured by X-ray diffraction, atomic force microscopy, and optical transmission spectroscopy, is reported. The films are grown in different deposition systems to varying thicknesses (10-140 nm), on several substrates, and under different growth and cooling conditions. Using the results and literature data, first it is shown that the band gap measured by transmission is systematically lower than the gap found by ellipsometry, suggesting that sufficient caution must be exercised when comparing...

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Large Elasto-Optic Effect in EpitaxialPbTiO3Films

Cited by 38 publications

References 58 publications

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

Revisiting the Optical Band Gap in Epitaxial BiFeO₃ Thin Films

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Large Elasto-Optic Effect in EpitaxialPbTiO3Films

Cited by 38 publications

References 58 publications

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

Revisiting the Optical Band Gap in Epitaxial BiFeO3 Thin Films

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Revisiting the Optical Band Gap in Epitaxial BiFeO₃ Thin Films