Propriétés Cristallographiques, Magnetiques, et Electriques de L'Orthovanadite de Lanthane LaVO3

Dougier, P.; Hagenmuller, Paul

doi:10.1016/s0022-4596(74)80002-2

Cited by 39 publications

(11 citation statements)

References 16 publications

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“…A starting supercell of 2x2x2 formula units (40 atoms) was used, with 4x4x4 kpoints in a Monkhorst-Pack scheme. 47 Migration barriers were converged to within 20 meV relative to the choice of kpoint mesh. All calculations are started with the B-site cations in a ferromagnetic configuration.…”

Section: Methodsmentioning

confidence: 99%

Strain effects on oxygen migration in perovskites

Mayeshiba

2015

Phys. Chem. Chem. Phys.

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Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. Strain is often proposed as a method to enhance the performance of oxygen transport materials, but the magnitude of its effect and its underlying mechanisms are not well-understood, particularly in the widely-used perovskite-structured oxygen conductors. This work reports on an ab initio prediction of strain effects on migration energetics for nine perovskite systems of the form LaBO3, where B = [Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga]. Biaxial strain, as might be easily produced in epitaxial systems, is predicted to lead to approximately linear changes in migration energy. We find that tensile biaxial strain reduces the oxygen vacancy migration barrier across the systems studied by an average of 66 meV per percent strain for a single selected hop, with a low of 36 and a high of 89 meV decrease in migration barrier per percent strain across all systems. The estimated range for the change in migration barrier within each system is ±25 meV per percent strain when considering all hops. These results suggest that strain can significantly impact transport in these materials, e.g., a 2% tensile strain can increase the diffusion coefficient by about three orders of magnitude at 300 K (one order of magnitude at 500 °C or 773 K) for one of the most strain-responsive materials calculated here (LaCrO3). We show that a simple elasticity model, which assumes only dilative or compressive strain in a cubic environment and a fixed migration volume, can qualitatively but not quantitatively model the strain dependence of the migration energy, suggesting that factors not captured by continuum elasticity play a significant role in the strain response.

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Section: Methodsmentioning

confidence: 99%

Strain effects on oxygen migration in perovskites

Mayeshiba

2015

Phys. Chem. Chem. Phys.

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“…The crystal structure of LaVO 3 has been extensively studied before. It was reported that it is cubic at room temperature and undergoes a phase transformation to a tetragonal symmetry at 137 K, 15 or to an orthorhombic symmetry at around 130 K. 11 It was later found by Bordet et al that LaVO 3 undergoes a crystallographic-antiferromagnetic tran-sition at about 140 K from orthorhombic with space group Pbnm to monoclinic with space group P2 1 /b11. 16 In the orthorhombic structure all V sites are equivalent, while two independent V sites exist in the monoclinic structure.…”

Section: Introductionmentioning

confidence: 99%

Orbital-ordering-induced phase transition inLaVO3andCeVO3

et al. 2003

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The structural phase transition in the orthovanadates LaVO 3 and CeVO 3 has been studied with high energy synchrotron x-ray diffraction. LaVO 3 undergoes a second order phase transition at T N ϭ143 K and a first order transition at T t ϭ141 K, while in CeVO3 there are phase transitions occurring at T 0 ϭ154 K of second order and at T N ϭ134 K of first order. These phase transitions are confirmed by specific heat measurements. The phase transition at T t in LaVO 3 or T 0 in CeVO 3 is due to a G-type orbital ordering which lowers the structure symmetry from orthorhombic Pbnm to monoclinic P2 1 /b11. The structure change at T N in CeVO 3 is ascribed to an orbital ordering enhanced magnetostrictive distortion, while that at T N in LaVO 3 is most probably due to an ordered occupation of the vanadium 3d t 2g orbitals associated with an antiferromagnetic ordering. We propose that the first order phase transition at T t in LaVO 3 should be associated with a sudden change of both spin and orbital configurations, similar to the phase transition at T s ϭ77 K in YVO 3 ͓Ren et al., Nature ͑London͒ 396, 441 ͑1998͔͒, causing a reversal of the net magnetization. However, the ordered state above T t in LaVO 3 is identical to that below T s in YVO 3 . It is found that, with increasing lanthanide ionic radius, the Néel temperature T N increases while the orbital ordering onset temperature decreases in these orthovanadates.

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“…The temperature dependence of the conductivity in the temperature range 295-358 K is shown in Fig. [10][11][12] In conclusion, epitaxial LaVO 3 thin films can be grown on LaAlO 3 substrates by pulsed laser deposition under vacuum at temperatures ജ500°C. The result is consistent with semiconducting behavior resulting from the thermally activated hopping mechanism that has been invoked to describe the extrinsic conductivity of bulk LaVO 3 for T < 400 K. 10,11 The estimated activation energy of 0.16 ± 0.06 eV as well as the conductivity at room temperature of ∼7.7 × 10 −2 (⍀ cm) −1 is in good agreement with that of bulk LaVO 3 .…”

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confidence: 86%

“…As components of a ferroelectric nonvolatile memory device in the ferroelectric field-effect transistor (FET) configuration, epitaxial thin films of the semiconducting oxides can enhance the device performance by improving the interface quality between the ferroelectric and semiconducting layers. [9][10][11][12] The resistivity of LaVO 3 can be controlled by using its strontium-doped analogue La 1−x Sr x VO 3 , whose electrical properties change from those of a semiconductor to a metal as the strontium content is increased. 6 Among numerous semiconducting oxides, LaVO 3 shows many interesting properties.…”

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confidence: 99%

Epitaxial growth of semiconducting LaVO₃ thin films

Choi

Sands

Kim³

2000

J. Mater. Res.

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Epitaxial thin films of LaVO 3 were grown on (001) LaAlO 3 substrates by pulsed laser deposition from a LaVO 4 target in a vacuum ambient at substrate temperatures ജ500°C. X-ray diffraction studies showed that epitaxial LaVO 3 films consist of mixed domains of [110] and [001] orientations. Thermoprobe and four-probe conductivity measurements demonstrated the p-type semiconducting behavior of the epitaxial LaVO 3 films. The temperature dependence of the conductivity is consistent with a thermally activated hopping mechanism with an activation barrier of 0.16 eV.There has been increasing interest in growing epitaxial thin film heterostructures consisting of materials that have similar crystalline structures but possess remarkably different physical properties. Prime emphasis has been put on perovskite oxides exhibiting wide ranges of electrical, magnetic, and optical properties since the combination of such diverse materials offers attractive possibilities for novel device structures. Although conductive oxide thin films have been extensively investigated due to their potential applications in a number of different fields, 1-3 little attention has been given to semiconducting oxide thin films. As components of a ferroelectric nonvolatile memory device in the ferroelectric field-effect transistor (FET) configuration, epitaxial thin films of the semiconducting oxides can enhance the device performance by improving the interface quality between the ferroelectric and semiconducting layers. 4,5 Moreover, epitaxial thin films of the semiconducting oxides in an FET can be utilized to make optically transparent switches, with potential on-screen display applications. 6 Among numerous semiconducting oxides, LaVO 3 shows many interesting properties. It has a GdFeO 3 -type orthorhombic structure (space group Pbnm) with lattice constants of a ‫ס‬ 0.555548 nm, b ‫ס‬ 0.555349 nm, and c ‫ס‬ 0.784868 nm. 7 The structure can be considered as a pseudocubic perovskite with a lattice constant of ∼0.39 nm, revealing the structural compatibility of this phase with other perovskite-type materials. LaVO 3 undergoes an orthorhombic-to-monoclinic structure transition at about 140 K accompanied by a paramagnetic-toantiferromagnetic transition as the temperature decreases. 7 LaVO 3 behaves as a p-type semiconductor with an optical band gap of ∼1.1 eV. 8 The p-type doping of LaVO 3 arises from cation deficiency with an activation energy for conduction in the range 0.1-0.2 eV. 9-12 The resistivity of LaVO 3 can be controlled by using its strontium-doped analogue La 1−x Sr x VO 3 , whose electrical properties change from those of a semiconductor to a metal as the strontium content is increased. 12,13 Although the electrical transport and magnetic properties of bulk LaVO 3 have been investigated, there has been no report on LaVO 3 thin films to the authors' knowledge. In this study, epitaxial LaVO 3 thin films were grown and characterized by structural and electrical transport measurements.LaVO 3 thin films were deposited on LaAlO 3 (001) pseud...

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Propriétés Cristallographiques, Magnetiques, et Electriques de L'Orthovanadite de Lanthane LaVO3

Cited by 39 publications

References 16 publications

Strain effects on oxygen migration in perovskites

Strain effects on oxygen migration in perovskites

Orbital-ordering-induced phase transition inLaVO3andCeVO3

Epitaxial growth of semiconducting LaVO₃ thin films

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Propriétés Cristallographiques, Magnetiques, et Electriques de L'Orthovanadite de Lanthane LaVO3

Cited by 39 publications

References 16 publications

Strain effects on oxygen migration in perovskites

Strain effects on oxygen migration in perovskites

Orbital-ordering-induced phase transition inLaVO3andCeVO3

Epitaxial growth of semiconducting LaVO3 thin films

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Epitaxial growth of semiconducting LaVO₃ thin films