First-principles study of the coexisting ferroelectric and ferromagnetic properties of the La0.75Bi0.25CrO3 compound

Martínez-Aguilar, E.; Hmoˇk, H'Linh; Ribas‐Ariño, Jordi; Beltrones, J.M. Siqueiros

doi:10.1016/j.commatsci.2019.109262

Cited by 9 publications

(3 citation statements)

References 24 publications

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“…Our calculated bandgap of LaCrO 3 is 2.98 eV, which is close to our experimental result (3.10 eV) and the calculated results obtained by others. [ 34 ] The calculated bandgap of La 0.75 Ca 0.25 CrO 3 is decreased to 2.23 eV and the valence band maximum (VBM) is markedly raised to the high‐energy range after Ca doping (Figure 4d). The calculated bandgap of La 0.75 Ca 0.25 CrO 3 is higher than the experimental bandgap of La 0.7 Ca 0.3 CrO 3 sample, which can be attributed to the varying phase composition and the presence of impurity in La 0.7 Ca 0.3 CrO 3 coating (Figure 1c).…”

Section: Resultsmentioning

confidence: 99%

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High‐Performance Reticular Porous Perovskite Coating with Wide‐Spectrum Absorption for Photothermal Conversion

Zhang

Liu

et al. 2021

Solar RRL

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Good thermal shock resistance and high absorptivity in a wide spectral range, as the two key aspects of photothermal coating in high‐temperature applications, are seldom realized simultaneously. Herein, it is reported that a reticular porous Ca‐doped LaCrO3 perovskite photothermal coating fabricated by a simple process presents excellent thermal shock resistance between 1200 °C and room temperature and optical absorptivity of ≈94% in the wavelength range of 0.3–14 μm. The high‐temperature sintering after screen printing triggers significant variations in the microchemistry and microstructure of the Ca‐doped LaCrO3 coatings, and the experimental analyses and the first‐principles calculation demonstrate that the appropriate doping of Ca2+ causes lattice distortion, decreases the lattice parameters and bandgap, and effectively enhances interactions between the photon and carrier, resulting in the high optical absorptivity in the visible, near‐, and mid‐infrared ranges. The reticular porous microstructure and interfacial diffusion bonding between the coating and Al2O3 substrate with a gradient transition layer contribute to the high‐temperature thermal shock resistance. Herein, a novel way to fabricate a high‐performance and low‐cost photothermal conversion coating is provided, which presents a broad application prospect in energy harvesters and sensors.

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Section: Resultsmentioning

confidence: 99%

“…Moreover, the spin‐polarized calculations were also carried out due to the AFM‐G arrangements for LaCrO 3 . [ 34 ]…”

Section: Methodsmentioning

confidence: 99%

High‐Performance Reticular Porous Perovskite Coating with Wide‐Spectrum Absorption for Photothermal Conversion

Zhang

Liu

et al. 2021

Solar RRL

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“…As the key components of the rolling mill of the steel rolling production line, with the continuous development of the steel rolling industry, the requirements for the hardness and wear resistance of the rolls in industrial production are getting higher and higher. Cr5 alloy steel has been widely used in the production of modern rolls as a substitute for 60CrMnMo, 50CrNiMo, 70Cr3NiMo and Cr4 [ 1 ] due to its good hardness, wear resistance and resistance. Fatigue performance has always been one of the key research topics for roll steels in the iron and steel production industry.…”

Section: Introductionmentioning

confidence: 99%

An Enhanced Lemaitre Model and Fracture Map for Cr5 Alloy Steel during High-Temperature Forming Process

et al. 2022

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To effectively control and predict crack defects in the high-temperature forming process of Cr5 alloy steel, based on the traditional Lemaitre damage model, a new high-temperature damage model of Cr5 alloy steel was proposed which considered the change of material elastic modulus with temperature, the influence of material hydrostatic pressure as well as temperature and strain rate on material damage. Because Cr5 alloy steels are usually forged at high temperatures, tensile testing is an important method to study the damage behaviour of materials. Through the high-temperature tensile test and elastic modulus measurement test of the Cr5 alloy steel, the stress–strain curves and the relationship curves of the elastic modulus value with the temperature of Cr5 alloy steel under different temperatures and strain rates were obtained. A new high-temperature damage model of Cr5 alloy steel was built by introducing the Zener–Hollomon coefficient considering the influence of temperature and strain rate. The established high-temperature damage model was embedded in Forge® finite element software through the program’s secondary development method to numerically simulate the experimental process of Cr5 alloy steel. Comparing the difference between the displacement–load curves of the numerical simulation and the actual test of the tensile process of the experimental samples, the correlation coefficient R2 is 0.987 and the difference between the experimental value and the simulated value of the tensile sample elongation at break is 1.28%. The accuracy of the high-temperature damage model of Cr5 alloy steel established in this paper was verified. Finally, the high-temperature damage map of Cr5 alloy steel was constructed to analyse the variation law of various damage parameters with the temperature and strain rate of the high-temperature damage model of Cr5 alloy steel.

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Impact of Bi doping on the structure and physical properties of LaCrO3-based perovskite

Amorri,

Khalfa,

Rached

et al. 2024

J Mater Sci: Mater Electron

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First-principles study of the coexisting ferroelectric and ferromagnetic properties of the La0.75Bi0.25CrO3 compound

Cited by 9 publications

References 24 publications

High‐Performance Reticular Porous Perovskite Coating with Wide‐Spectrum Absorption for Photothermal Conversion

High‐Performance Reticular Porous Perovskite Coating with Wide‐Spectrum Absorption for Photothermal Conversion

An Enhanced Lemaitre Model and Fracture Map for Cr5 Alloy Steel during High-Temperature Forming Process

Impact of Bi doping on the structure and physical properties of LaCrO3-based perovskite

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