Insight into the effect of rare earth <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si9.svg" display="inline" id="d1e2105"><mml:mrow><mml:mi>R</mml:mi><mml:mi>E</mml:mi><mml:mo linebreak="goodbreak" linebreakstyle="after">=</mml:mo><mml:mi>C</mml:mi><mml:mi>e</mml:mi><mml:mo>,</mml:mo><mml:mspace width="0.2777em"/><mml:mi>N</mml:mi><mml:mi>d</mml:mi><mml:mo>,</mml:mo><mml:mspace width="0.2777em"/><mml:mi>G</mml:mi><mml:mi>d</mml:mi></mml:mrow></mml:math> elements on the physical properti

Agouri, M.; Waqdim, A.; Abbassi, A.; Zidane, Z.; Taj, S.; Manaut, B.; Driouich, M.

doi:10.1016/j.mseb.2023.116550

Materials Science and Engineering: B

2023

DOI: 10.1016/j.mseb.2023.116550

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Insight into the effect of rare earth RE=Ce,Nd,Gd elements on the physical properti

M. Agouri

A. Waqdim

A. Abbassi

et al.

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2024

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Cited by 6 publications

References 34 publications

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The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb₂ScTaO₆ Perovskite: a Density Functional Theory Study

Ben‐nana,

Agouri,

Abbassi

et al. 2024

Physica Status Solidi (b)

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This study provides a comprehensive analysis of the cubic double‐perovskite compound Pb2ScTaO6, exploring its structural stability, electronic, optical, and mechanical properties. The material's response to hydrostatic pressure, using density functional theory with the FP‐LAPW approach, is investigated. The analysis, validated by experimental and theoretical data, reveals Pb2ScTaO6's semiconductor nature with a bandgap of 3.129 eV, which decreases under hydrostatic pressure. Furthermore, the assessment of the material's elastic constants confirms its mechanical stability and the optical properties across ultraviolet and infrared spectra suggest potential applications in optoelectronic devices.

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The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb₂ScTaO₆ Perovskite: a Density Functional Theory Study

Ben‐nana,

Agouri,

Abbassi

et al. 2024

Physica Status Solidi (b)

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show abstract

First-principles examination of structural, electronic, magnetic, and optical properties of a free lead scintillating double perovskites $$A_2NaTaX_6$$ ($$A = Cs$$, Rb; $$X = Cl, Br, I)$$

Ouhenou,

Zaghrane,

Darkaoui

et al. 2024

Opt Quant Electron

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Ultraviolet active novel chalcogenides AScSe2 (A= K, Cs): The structural, optoelectronic, mechanical, vibrational, and thermodynamical properties for energy harvesting applications

Khalil,

Hussain,

Asma

et al. 2024

Materials Science in Semiconductor Processing

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Insight into the effect of rare earth RE=Ce,Nd,Gd elements on the physical properti

Cited by 6 publications

References 34 publications

The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb₂ScTaO₆ Perovskite: a Density Functional Theory Study

The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb₂ScTaO₆ Perovskite: a Density Functional Theory Study

First-principles examination of structural, electronic, magnetic, and optical properties of a free lead scintillating double perovskites $$A_2NaTaX_6$$ ($$A = Cs$$, Rb; $$X = Cl, Br, I)$$

Ultraviolet active novel chalcogenides AScSe2 (A= K, Cs): The structural, optoelectronic, mechanical, vibrational, and thermodynamical properties for energy harvesting applications

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Resources

About

Insight into the effect of rare earth RE=Ce,Nd,Gd elements on the physical properti

Cited by 6 publications

References 34 publications

The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb2ScTaO6 Perovskite: a Density Functional Theory Study

The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb2ScTaO6 Perovskite: a Density Functional Theory Study

First-principles examination of structural, electronic, magnetic, and optical properties of a free lead scintillating double perovskites $$A_2NaTaX_6$$ ($$A = Cs$$, Rb; $$X = Cl, Br, I)$$

Ultraviolet active novel chalcogenides AScSe2 (A= K, Cs): The structural, optoelectronic, mechanical, vibrational, and thermodynamical properties for energy harvesting applications

Contact Info

Product

Resources

About

The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb₂ScTaO₆ Perovskite: a Density Functional Theory Study

The Pressure‐Induced Structural Stability, Mechanical, and Optoelectronic Properties of Pb₂ScTaO₆ Perovskite: a Density Functional Theory Study