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RESEARCH PAPER · Materials Science in Semiconductor Processing · 2015

Modified Becke–Johnson (mBJ) exchange potential investigations of the optoelectronic structure of the quaternary diamond-like semiconductors Li2CdGeS4 and Li2CdSnS4

Sikander Azam, Saleem Ayaz Khan, Souraya Goumri‐Said

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Modified Becke–Johnson (mBJ) exchange potential investigations of the optoelectronic structure of the quaternary diamond-like semiconductors Li2CdGeS4 and Li2CdSnS4OriginalDFT and modified Becke Johnson (mBJ) potential investigations of the optoelectronic properties of SnGa4Q7 (Q = S, Se) compounds: Transparent materials for large energy conversion16Engel-Vosko GGA Approach Within DFT Investigations of the Optoelectronic Structure of the Metal Chalcogenide Semiconductor CsAgGa2Se46Energy band structure, elastic and optical constants of the filled skutterudite CeRu4As127DFT study of optoelectronic and magnetic properties of iron-containing diamond-like materials Ag 2 FeSiS 4 , Li 2 FeSnS 4 , and Li 2 FeGeS 49Exploring thermoelectric materials for renewable energy applications: The case of highly mismatched alloys based on AlBi1-xSbx and InBi1-xSbx64Investigation of GaBi1-xSbx based highly mismatched alloys: Potential thermoelectric materials for renewable energy devices and applications16Exploring single-layered SnSe honeycomb polymorphs for optoelectronic and photovoltaic applications75Engineering the electronic band structures of novel cubic structured germanium monochalcogenides for thermoelectric applications12Thermoelectric properties of the novel cubic structured silicon monochalcogenides: A first-principles study13Highly absorbent cubic structured Silicon-monochalcogenides: Promising materials for photovoltaic applications7Electronic, optical and thermoelectric properties of new metal-rich homological selenides with palladium–indium: Density functional theory and Boltzmann transport model52Computational investigation of electronic and optical properties of spinal sulfides Sc2XS4 (X= Zn, Mg and Be) for photovoltaic and solar cell applications28Electronic and Optical Properties of Mg3xn (X=P, as, Sb, Bi) Antiperovskites: The Gw/Bse Approach30A first-principles study of optoelectronic properties of Y2MS4 (M=Zn, Mg and Be): Direct bandgap ternary sulfides5Machine learning and density functional theory simulation of the electronic structural properties for novel quaternary semiconductors14The enhanced optoelectronic, and thermoelectric nature of novel KXCuS3 (X = Zr, Hf) semiconductors: An inclusive ab-initio study1Exploring the functional properties of the diamond-like quaternary compound Li 2 ZnGeS 4 for potential energy applications: a theoretical approach2First-principles study of metal and ligand substitution effects on EUV absorption and electron energy loss2

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  1. DFT and modified Becke Johnson (mBJ) potential investigations of the optoelectronic properties of SnGa4Q7 (Q = S, Se) compounds: Transparent materials for large energy conversion

    Solid State Sciences · 2015-08-21

    Wilayat Khan, Sikander Azam, Fahad Ali Shah, Souraya Goumri‐Said

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  2. Engel-Vosko GGA Approach Within DFT Investigations of the Optoelectronic Structure of the Metal Chalcogenide Semiconductor CsAgGa2Se4

    Journal of Electronic Materials · 2015-11-13

    Sikander Azam, Saleem Ayaz Khan, Souraya Goumri‐Said

    Read original paper ↗ ·

  3. Energy band structure, elastic and optical constants of the filled skutterudite CeRu4As12

    Materials Science in Semiconductor Processing · 2016-02-14

    Amit Shankar, P. Raics, Sandeep Sandeep, Himanshu Joshi, R. Khenata, Madhav Prasad Ghimire, Ram Kumar Thapa, Pradip Kumar Mandal

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  4. DFT study of optoelectronic and magnetic properties of iron-containing diamond-like materials Ag 2 FeSiS 4 , Li 2 FeSnS 4 , and Li 2 FeGeS 4

    Solid State Sciences · 2017-08-03

    Sikander Azam, Saleem Ayaz Khan, Souraya Goumri‐Said

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  5. Exploring thermoelectric materials for renewable energy applications: The case of highly mismatched alloys based on AlBi1-xSbx and InBi1-xSbx

    Intermetallics · 2017-11-08

    Bakhtiar Ul Haq, R. Ahmed, Salem A. AlFaify, Faheem K. Butt, A. Shaari, A. Laref

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  6. Investigation of GaBi1-xSbx based highly mismatched alloys: Potential thermoelectric materials for renewable energy devices and applications

    Journal of Alloys and Compounds · 2017-12-27

    Salem A. AlFaify, Bakhtiar Ul Haq, R. Ahmed, Faheem K. Butt, M.M. Alsardia

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  7. Exploring single-layered SnSe honeycomb polymorphs for optoelectronic and photovoltaic applications

    Physical review. B./Physical review. B · 2018-02-23

    Bakhtiar Ul Haq, Salem A. AlFaify, R. Ahmed, Faheem K. Butt, A. Laref, Mohd. Shkir

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  8. Engineering the electronic band structures of novel cubic structured germanium monochalcogenides for thermoelectric applications

    Journal of Applied Physics · 2018-05-07

    Bakhtiar Ul Haq, Salem A. AlFaify, R. Ahmed, Faheem K. Butt, A. Laref, Souraya Goumri‐Said, S. A. Tahir

    Read original paper ↗ ·

  9. Thermoelectric properties of the novel cubic structured silicon monochalcogenides: A first-principles study

    Journal of Alloys and Compounds · 2018-07-30

    Bakhtiar Ul Haq, Salem A. AlFaify, R. Ahmed, Aijaz Rasool Chaudhry, A. Laref, Faheem K. Butt, Khan Alam

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  10. Highly absorbent cubic structured Silicon-monochalcogenides: Promising materials for photovoltaic applications

    Ceramics International · 2019-02-15

    Bakhtiar Ul Haq, Salem A. AlFaify, R. Ahmed, Faheem K. Butt, A. Shaari, Saleem Ayaz Khan, A. Laref, Aijaz Rasool Chaudhry

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  11. Electronic, optical and thermoelectric properties of new metal-rich homological selenides with palladium–indium: Density functional theory and Boltzmann transport model

    Journal of Physics and Chemistry of Solids · 2019-10-17

    Sikander Azam, Souraya Goumri‐Said, Saleem Ayaz Khan, Mohammed Benali Kanoun

    Read original paper ↗ ·

  12. Computational investigation of electronic and optical properties of spinal sulfides Sc2XS4 (X= Zn, Mg and Be) for photovoltaic and solar cell applications

    Materials Science in Semiconductor Processing · 2020-09-13

    Aijaz Rasool Chaudhry, Bakhtiar Ul Haq, Salem A. AlFaify, A. Shaari, A. Laref

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  13. Electronic and Optical Properties of Mg3xn (X=P, as, Sb, Bi) Antiperovskites: The Gw/Bse Approach

    Solid State Communications · 2022-01-01

    Ezekiel Oyeniyi

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  14. A first-principles study of optoelectronic properties of Y2MS4 (M=Zn, Mg and Be): Direct bandgap ternary sulfides

    Optik · 2022-03-20

    Aijaz Rasool Chaudhry

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  15. Machine learning and density functional theory simulation of the electronic structural properties for novel quaternary semiconductors

    Physical Chemistry Chemical Physics · 2023-01-01

    Mengwei Gao, Bo Cai, Gaoyu Liu, Lili Xu, Shengli Zhang, Haibo Zeng

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  16. The enhanced optoelectronic, and thermoelectric nature of novel KXCuS3 (X = Zr, Hf) semiconductors: An inclusive ab-initio study

    Optik · 2024-02-02

    Muhammad Salman Khan, Banat Gul, Ghlamallah Benabdellah, Gulzar Khan, Bashir Ahmad, Saikh Mohammad Wabaidur, Ammar Mohamed TIGHEZZA, Hijaz Ahmad

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  17. Exploring the functional properties of the diamond-like quaternary compound Li 2 ZnGeS 4 for potential energy applications: a theoretical approach

    Physical Chemistry Chemical Physics · 2025-01-01

    Lalengmawia Celestine, Michael T. Nunsanga, Saurav Suman, Renthlei Zosiamliana, Lalruat Sanga, Hani Laltlanmawii, Lalhriat Zuala, Shivraj Gurung, A. Laref, P. Raics

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  18. First-principles study of metal and ligand substitution effects on EUV absorption and electron energy loss

    Journal of Materials Chemistry C · 2025-01-01

    Florian Brette, Vishal Gupta, Geunsik Lee

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