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Nanostructured ZnO-X alloys with tailored optoelectronic properties for solar-energy technologies
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-9050-5445
2013 (English)In: Materials Research Society Symposium Proceedings: Volume 1558, Materials Research Society, 2013Conference paper (Refereed)
Abstract [en]

Alloying ZnO with isovalent compounds allows tailoring the material's optoelectronic properties. In this work, we theoretically analyze the ZnO-based alloys ZnO-X ≡ (ZnO)1-x(X)x where X = GaN and InN, employing a first-principles Green's function method GW0 based on the density functional approach. Since the alloy compounds are isovalent to ZnO, we find relatively small distortion of the crystalline structure, however, nanocluster structures are expected to be present in the alloy. ZnO-X reveal intriguing optoelectronic properties. Incorporating GaN or InN in ZnO strongly narrows the energy gap. The band gap energy is reduced from Eg = 3.34 eV in intrinsic ZnO to ∼2.17 and ∼1.89 eV in ZnO-X by alloying ZnO with 25% GaN and InN, respectively. Moreover, clustering enhances the impact on the electronic structure, and the gap energy in ZnO-InN is further reduced to 0.7-1.5 eV if the 25% compound contains nanoclusters. The dielectric function - 2(ω) varies weakly in ZnO-GaN with respect to alloy composition, while it varies rather strongly in ZnO-InN. Hence, by properly growing and designing ZnO-X, the alloy can be optimized for a variety of novel integrated optoelectronic nano-systems.

Place, publisher, year, edition, pages
Materials Research Society, 2013.
, Materials Research Society Symposium Proceedings, ISSN 0272-9172 ; 1558
Keyword [en]
alloy, dielectric properties, optoelectronic
National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-147272DOI: 10.1557/opl.2013.1134ScopusID: 2-s2.0-84908658008OAI: diva2:729546
2013 MRS Spring Meeting; San Francisco, CA; United States; 1 April 2013 through 5 April 2013

QC 20140626

Available from: 2014-06-26 Created: 2014-06-25 Last updated: 2014-06-26Bibliographically approved

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