Physical properties of perovskite SrHfO3 compound doped with S for photovoltaic applications: the ab initio study

Zitouni, Houssain; Tahiri, N.; Bounagui, O. El; Ez‐Zahraouy, H.

doi:10.1007/s00339-020-03987-4

Cited by 9 publications

(1 citation statement)

References 22 publications

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“…Up till now, various materials have been reported as material for RS layer like metal oxides such as CeO 2 , [15,22] HfO 2 , [23] TiO 2 , [24] MoO 3 , [25] perovskite oxides, that is, SrHfO 3 [26] and XZrO 3 (X = Ba, Ca, Sr). [27] Some halide perovskite have also been reported for fabrication of flexible memory-storage devices.…”

Section: Introductionmentioning

confidence: 99%

The Structural, Electronic, and Optical Characteristics of Sb_2−xM_xO₃ (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

Khera

Hussain

Khalil

2023

Physica Status Solidi (b)

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Herein, structural, electronic, and optical characteristics of pristine Sb 2 O 3 and doped Sb 2Àx M x O 3 (M = Cu, Ni, Zn; x = 0.25) for optoelectronic and allied applications are computed using Tran-Blaha modified Becke-Johnson (TB-mBJ) approximation along with Hubbard correction. The calculated negative groundstate energy values and absence of imaginary frequency at Gamma (ΓÞpoint predict the dynamical and structural stability of all studied composites. The spinpolarized electronic band structure, density of states (DOS), and 3D iso-surface charge density analysis show reduced energy bandgap values for Sb 2Àx M x O 3 with dopant at site B. In addition, Sb 2Àx Ni x O 3 is found with minimal energy bandgap along spin-down configuration. As regards optical response of composites, Sb 2Àx Ni x O 3 offers maximum electromagnetic absorption in UV region and highest optical conductivity. Henceforth, Sb 2Àx Ni x O 3 is found as most promising candidate among all studied composites for optoelectronic and allied applications.

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Section: Introductionmentioning

confidence: 99%

The Structural, Electronic, and Optical Characteristics of Sb_2−xM_xO₃ (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

Khera

Hussain

Khalil

2023

Physica Status Solidi (b)

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Investigation on Y2NiMnO6 nanostructures for energy storage applications

et al. 2022

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Forecasting optical response in lieu of electronic properties of Sn1-xCdxZrO3 for solar cell application: a DFT perspective

Usman,

Ullah,

Rizwan

et al. 2023

Indian J Phys

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Physical properties of perovskite SrHfO3 compound doped with S for photovoltaic applications: the ab initio study

Cited by 9 publications

References 22 publications

The Structural, Electronic, and Optical Characteristics of Sb_2−xM_xO₃ (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

The Structural, Electronic, and Optical Characteristics of Sb_2−xM_xO₃ (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

Investigation on Y2NiMnO6 nanostructures for energy storage applications

Forecasting optical response in lieu of electronic properties of Sn1-xCdxZrO3 for solar cell application: a DFT perspective

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Physical properties of perovskite SrHfO3 compound doped with S for photovoltaic applications: the ab initio study

Cited by 9 publications

References 22 publications

The Structural, Electronic, and Optical Characteristics of Sb2−xMxO3 (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

The Structural, Electronic, and Optical Characteristics of Sb2−xMxO3 (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

Investigation on Y2NiMnO6 nanostructures for energy storage applications

Forecasting optical response in lieu of electronic properties of Sn1-xCdxZrO3 for solar cell application: a DFT perspective

Contact Info

Product

Resources

About

The Structural, Electronic, and Optical Characteristics of Sb_2−xM_xO₃ (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study

The Structural, Electronic, and Optical Characteristics of Sb_2−xM_xO₃ (M = Cu, Ni, Zn; x = 0.25) for Optoelectronic and Allied Applications: First‐Principles Study