A DFT study of defects in paramagnetic Cr<sub>2</sub>O<sub>3</sub>

Huang, Xintang; Fossati, Paul; Martinelli, Laure; Bosonnet, Sophie; Latu-Romain, L.; Wouters, Y.

doi:10.1039/d1cp05756a

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Cited by 4 publications

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“…The formation of intrinsic point defects has been well studied in bulk chromia and hematite and recent studies have summarized the calculations performed using different techniques [31,32]. On surfaces, intrinsic point defects are also involved [33][34][35][36][37].…”

Section: Introductionmentioning

confidence: 99%

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Huang,

Costa,

Diawara

et al. 2023

Corrosion Science

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Section: Introductionmentioning

confidence: 99%

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Huang,

Costa,

Diawara

et al. 2023

Corrosion Science

Self Cite

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Revisiting thermodynamics in (LiF, NaF, KF, CrF2)–CrF3 by first-principles calculations and CALPHAD modeling

Gong,

Shang,

Wang

et al. 2024

Calphad

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Chromium oxide film for Q-switched and mode-locked pulse generation

Cheng

Zhao

et al. 2023

Opt. Express

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Chromium oxide (Cr2O3) is a promising material used in the applications such as photoelectrochemical devices, photocatalysis, magnetic random access memory, and gas sensors. But, its nonlinear optical characteristics and applications in ultrafast optics have not been studied yet. This study prepares a microfiber decorated with a Cr2O3 film via magnetron sputtering deposition and examines its nonlinear optical characteristics. The modulation depth and saturation intensity of this device are determined as 12.52% and 0.0176 MW/cm2. Meanwhile, the Cr2O3-microfiber is applied as a saturable absorber in an Er-doped fiber laser, and stable Q-switching and mode-locking laser pulses are successfully generated. In the Q-switched working state, the highest output power and shortest pulse width are measured as 12.8 mW and 1.385 µs, respectively. The pulse duration of this mode-locked fiber laser is as short as 334 fs, and its signal-to-noise ratio is 65 dB. As far as we know, this is the first illustration of using Cr2O3 in ultrafast photonics. The results confirm that Cr2O3 is a promising saturable absorber material and significantly extend the scope of saturable absorber materials for innovative fiber laser technologies.

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A DFT study of defects in paramagnetic Cr₂O₃

Abstract: The nature of the dominant point defect and semiconductor character in paramagnetic Cr2O3 depends on temperature and oxygen partial pressure.

Cited by 4 publications

References 67 publications

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Revisiting thermodynamics in (LiF, NaF, KF, CrF2)–CrF3 by first-principles calculations and CALPHAD modeling

Chromium oxide film for Q-switched and mode-locked pulse generation

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A DFT study of defects in paramagnetic Cr2O3

Abstract: The nature of the dominant point defect and semiconductor character in paramagnetic Cr2O3 depends on temperature and oxygen partial pressure.

Cited by 4 publications

References 67 publications

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Revisiting thermodynamics in (LiF, NaF, KF, CrF2)–CrF3 by first-principles calculations and CALPHAD modeling

Chromium oxide film for Q-switched and mode-locked pulse generation

Contact Info

Product

Resources

About

A DFT study of defects in paramagnetic Cr₂O₃