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dc.contributor.authorTalwar, Devki N.
dc.contributor.authorBecla, Piotr
dc.date.accessioned2025-06-10T18:09:33Z
dc.date.available2025-06-10T18:09:33Z
dc.date.issued2025-05-16
dc.identifier.urihttps://hdl.handle.net/1721.1/159386
dc.description.abstractNovel wide-bandgap ZnO, BeO, and ZnBeO materials have recently gained considerable interest due to their stellar optoelectronic properties. These semiconductors are being used in developing high-resolution, flexible, transparent nanoelectronics/photonics and achieving high-power radio frequency modules for sensors/biosensors, photodetectors/solar cells, and resistive random-access memory applications. Despite earlier evidence of attaining p-type wz ZnO with N doping, the problem persists in achieving reproducible p-type conductivity. This issue is linked to charging compensation by intrinsic donors and/or background impurities. In ZnO: Al (Li), the vibrational features by infrared and Raman spectroscopy have been ascribed to the presence of isolated AlZn(LiZn) defects, nearest-neighbor (NN) [AlZn−NO ] pairs, and second NN [AlZn−O−LiZn;VZn−O−LiZn] complexes. However, no firm identification has been established. By integrating accurate perturbation models in a realistic Green’s function method, we have meticulously simulated the impurity vibrational modes of AlZn (LiZn) and their bonding to form complexes with dopants as well as intrinsic defects. We strongly feel that these phonon features in doped ZnO will encourage spectroscopists to perform similar measurements to check our theoretical conjectures.en_US
dc.publisherMultidisciplinary Digital Publishing Instituteen_US
dc.relation.isversionofhttp://dx.doi.org/10.3390/nano15100749en_US
dc.rightsCreative Commons Attributionen_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.sourceMultidisciplinary Digital Publishing Instituteen_US
dc.titleDynamical Characteristics of Isolated Donors, Acceptors, and Complex Defect Centers in Novel ZnOen_US
dc.typeArticleen_US
dc.identifier.citationTalwar, D.N.; Becla, P. Dynamical Characteristics of Isolated Donors, Acceptors, and Complex Defect Centers in Novel ZnO. Nanomaterials 2025, 15, 749.en_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Materials Science and Engineeringen_US
dc.relation.journalNanomaterialsen_US
dc.identifier.mitlicensePUBLISHER_CC
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dc.date.updated2025-05-27T12:54:19Z
dspace.date.submission2025-05-27T12:54:19Z
mit.journal.volume15en_US
mit.journal.issue10en_US
mit.licensePUBLISHER_CC
mit.metadata.statusAuthority Work and Publication Information Neededen_US


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