Evidence map›Paper›PMID 37847327›Full record

ArticleJournal of molecular modeling2023

Comparative investigations of structural, electronic, optical, and thermoelectric properties of pure and 2 at. % Al-doped ZnO.

Nozha El Ahlem Doghmane, Sabah Chettibi, Malika Doghmane, Djemâa Ben Othmane, Tahar Touam

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Article in Journal of molecular modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

5 authors at 2 institutions in 1 country.

Nozha El Ahlem DoghmaneLaboratoire de Physique des Matériaux, L2PM, Département Sciences de la Matière, Faculté MISM, Université 08 Mai 1945, DZ-24000, Guelma, Algeria.
Sabah ChettibiLaboratoire de Physique des Matériaux, L2PM, Département Sciences de la Matière, Faculté MISM, Université 08 Mai 1945, DZ-24000, Guelma, Algeria.
Malika DoghmaneLaboratoire de Physique des Matériaux, L2PM, Département Sciences de la Matière, Faculté MISM, Université 08 Mai 1945, DZ-24000, Guelma, Algeria.
Djemâa Ben OthmaneLaboratoire des Semi-conducteurs, Département de Physique, Faculté des Sciences, Université Badji-Mokhtar-Annaba, B.P 12, DZ-23000, Annaba, Algeria.
Tahar TouamLaboratoire des Semi-conducteurs, Département de Physique, Faculté des Sciences, Université Badji-Mokhtar-Annaba, B.P 12, DZ-23000, Annaba, Algeria. touamt@gmail.com.
University of Guelma · DZBadji Mokhtar University · DZ

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextWe comparatively investigate the properties of pure ZnO and 2 at. % Al doping concentration of ZnO, AZO, as potential candidates for specific applications.

methodsCalculations were carried out, using Wien2k package, to deduce structural, electronic, optical thermoelectric, and properties of both ZnO and AZO materials via the combination of GGA and mBJ approximations.

resultsIt is shown that Al doping of ZnO (AZO) improves its optical properties; the deduced direct fundamental gap is enhanced due to the Burstein-Moss effect. Moreover, the dielectric function, at lower energies, confirms the existence of an extra strong fluctuation in the dispersive real part ɛ

Indexed as

AZOGGA-mBJWien2kZnO

Identifiers

PMID37847327
OpenAlexW4387692796

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