• Login
    View Item 
    •   Academica-e
    • Departamentos y Centros - Sailak eta Ikastegiak
    • Dpto. Ciencias - Zientziak Saila [desde mayo 2018 / 2018ko maiatzetik]
    • Artículos de revista DCIE - ZIES Aldizkari artikuluak
    • View Item
    •   Academica-e
    • Departamentos y Centros - Sailak eta Ikastegiak
    • Dpto. Ciencias - Zientziak Saila [desde mayo 2018 / 2018ko maiatzetik]
    • Artículos de revista DCIE - ZIES Aldizkari artikuluak
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Identification of a Ni-vacancy defect in Ni-Mn-Z (Z = Ga, Sn, In): an experimental and DFT positron-annihilation study

    Thumbnail
    View/Open
    159-PRB 99 (2019) 064108.pdf (2.373Mb)
    Date
    2019
    Author
    Unzueta, Iraultza 
    Sánchez-Alarcos Gómez, Vicente Upna
    Recarte Callado, Vicente Upna
    Pérez de Landazábal Berganzo, José Ignacio Upna
    Zabala, Nerea 
    García, José Ángel 
    Plazaola, Fernando 
    Version
    Acceso abierto / Sarbide irekia
    xmlui.dri2xhtml.METS-1.0.item-type
    Artículo / Artikulua
    Version
    Versión publicada / Argitaratu den bertsioa
    Project Identifier
    ES/1PE/MAT2015- 65165 
    Impact
     
     
     
    10.1103/PhysRevB.99.064108
     
     
     
    Show full item record
    Abstract
    By means of experimental positron-annihilation-lifetime measurements and theoretical density functional theory (DFT) positron-lifetime calculations, vacancy-type defects in Ni50Mn50−xSnx (x = 25, 20, 15, 13, 10) and Ni50Mn50−xInx (x = 25, 20, 16, 13) systems are systematically studied. The study is extended to Ni-Mn-Ga systems as well. Experimental results are complemented with electron-positron ... [++]
    By means of experimental positron-annihilation-lifetime measurements and theoretical density functional theory (DFT) positron-lifetime calculations, vacancy-type defects in Ni50Mn50−xSnx (x = 25, 20, 15, 13, 10) and Ni50Mn50−xInx (x = 25, 20, 16, 13) systems are systematically studied. The study is extended to Ni-Mn-Ga systems as well. Experimental results are complemented with electron-positron DFT calculations carried out within the local density approximation and generalized gradient approximation, where five different parametrizations accounting for the γ (r) enhancement factor are analyzed. Theoretical results indicate that the Boronski-Nieminen parametrization of γ (r) is the one that best predicts the experimental results, which ultimately enables us to identify VNi as the vacancy present in the studied samples. The characteristic positron lifetime related to VNi ranges between 181 and 191 ps in Ni-Mn-Sn/In systems. Positron-annihilation-lifetime spectroscopy results in these two systems delimit the lower bound of the achievable vacancy concentration, which is much larger compared with the reported values in Ni-Mn-Ga systems. The present work, along with setting the basis for positron simulations in Ni-Mn based Heusler alloys, delimits the effect that the variation of vacancies has in the martensitic transformation in Ni-Mn-Sn systems. [--]
    Subject
    Defects, First order phase transitions, Vacancies, Heusler alloys, Density functional theory, Electron correlation calculations, Positron annihilation spectroscopy
     
    Publisher
    American Physical Society
    Published in
    Physical Review B 99, 064108 (2019)
    Departament
    Universidad Pública de Navarra. Departamento de Ciencias / Nafarroako Unibertsitate Publikoa. Zientziak Saila / Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa. InaMat - Institute for Advanced Materials
     
    Publisher version
    https://doi.org/10.1103/PhysRevB.99.064108
    URI
    https://hdl.handle.net/2454/35317
    Sponsorship
    This work is supported by Eusko Jaurlaritza under Grants No. IT-1005-16 and No. IT-756-13 and by Spanish Ministry of Economy and Competitiveness under Grant No. MAT2015- 65165-C2-R (MINECO/FEDER). I. Unzueta also wants to acknowledge Eusko Jaurlaritza for Grant No. PRE-2014-214.
    Appears in Collections
    • Artículos de revista DCIE - ZIES Aldizkari artikuluak [86]
    • Artículos de revista InaMat - InaMat aldizkari artikuluak [147]
    • Artículos de revista - Aldizkari artikuluak [2947]
    Items in Academica-e are protected by copyright with all rights reserved, unless otherwise noted.

     © Universidad Pública de Navarra - Nafarroako Unibertsitate Publikoa
         Repositorio basado en DSpace

    Contact Us | Send Feedback
     

     

    Browse

    All of Academica-eCommunities & CollectionsAuthorsAuthors By Issue DateTitlesSubjectsBy DegreeThis CollectionAuthorsAuthors By Issue DateTitlesSubjectsBy Degree

    My Account

    LoginRegister

    Statistics

    View Usage Statistics

     © Universidad Pública de Navarra - Nafarroako Unibertsitate Publikoa
         Repositorio basado en DSpace

    Contact Us | Send Feedback