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dc.creatorDey, Sandhya K.
dc.creatorDey, Chandi Charan
dc.creatorSaha, Saibal
dc.creatorBhattacharjee, G.
dc.creatorBelošević-Čavor, Jelena
dc.creatorToprek, Dragan
dc.date.accessioned2018-11-13T07:33:52Z
dc.date.available2018-11-13T07:33:52Z
dc.date.issued2019
dc.identifier.issn0022-4596 (print)
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/7937
dc.description.abstractCrystalline phases formed in stoichiometric Zr9Ni11 and Hf9Ni11 have been studied by perturbed angular correlation (PAC) spectroscopy, XRD and TEM/SAED measurements. In Zr9Ni11, the phases Zr9Ni11 (∼89%) and Zr8Ni21 (∼11%) have been found at room temperature from PAC measurements. At 773 K, Zr9Ni11 partially decomposes to Zr7Ni10 and at 973 K, it is completely decomposed to ZrNi and Zr7Ni10. In Hf9Ni11, a predominant phase (∼81%) due to HfNi is found at room temperature while the phase Hf9Ni11 is produced as a minor phase (∼19%). No compositional phase change at higher temperature is found in Hf9Ni11. Phase components found from XRD and TEM/SAED measurements are similar to those observed from PAC measurements. Electric field gradients in Zr9Ni11 and Hf9Ni11 have been calculated by density functional theory (DFT) using all electron full potential (linearized) augmented plane wave plus local orbitals [FP-(L)APW+lo] method in order to assign the phase components.en
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171001/RS//en
dc.relationDepartment of Atomic Energy (DAE), Government of India (12-R&D-SIN-5.02-0102)en
dc.rightsrestrictedAccess
dc.sourceJournal of Solid State Chemistryen
dc.subjectIntermetallicsen
dc.subjectHydrogen absorbing materialsen
dc.subjectPerturbed angular correlationen
dc.subjectPhase stabilityen
dc.subjectSite occupancyen
dc.subjectDensity functional theoryen
dc.titleCrystalline phases in Zr9Ni11 and Hf9Ni11 intermetallics; Investigations by perturbed angular correlation spectroscopy and ab initio calculationsen
dc.typearticleen
dc.rights.licenseARRen
dcterms.abstractДеy, Цханди Цхаран; Белошевић-Чавор, Јелена; Бхаттацхарјее, Г.; Саха, Саибал; Деy, Сандхyа К.; Топрек, Драган;
dc.rights.holder© 2018 Elsevier Inc
dc.citation.volume269
dc.citation.spage476
dc.citation.epage485
dc.identifier.doi10.1016/j.jssc.2018.10.001
dc.description.otherPreprint version of the article available at [http://vinar.vin.bg.ac.rs/123456789/7939] under Creative Commons -Attribution-NonCommercial-NoDerivatives license.
dc.type.versionpublishedVersion
dc.identifier.scopus2-s2.0-85055484497


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