Sánchez-Alarcos Gómez, Vicente
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Sánchez-Alarcos Gómez
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Vicente
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Ciencias
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InaMat2. Instituto de Investigación en Materiales Avanzados y Matemáticas
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Publication Open Access Experimental observation of vacancy-assisted martensitic transformation shift in Ni-Fe-Ga alloys(American Physical Society, 2019) Unzueta, Iraultza; Alonso de Robador Lorente, Daniel; Cesari, Eduard; Sánchez-Alarcos Gómez, Vicente; Recarte Callado, Vicente; Pérez de Landazábal Berganzo, José Ignacio; García, José Ángel; Plazaola, Fernando; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; CienciasPositron annihilation lifetime spectroscopy is used to experimentally demonstrate the direct relationship between vacancies and the shift of the martensitic transformation temperature in a Ni55Fel7Ga28 alloy. The evolution of vacancies assisting the ordering enables shifts of the martensitic transformation up to 50 K. Our results confirm the role that both vacancy concentration and different vacancy dynamics play in samples quenched from the L2(1) and B2 phases, which dictate the martensitic transformation temperature and its subsequent evolution. Finally, by electron-positron density functional calculations V-Ni is identified as the most probable vacancy present in Ni55Fe17Ga28. This work evidences the capability of vacancies for the fine-tuning of the martensitic transformation temperature, paving the way for defect engineering of multifunctional properties.Publication Open Access Identification of a Ni-vacancy defect in Ni-Mn-Z (Z = Ga, Sn, In): an experimental and DFT positron-annihilation study(American Physical Society, 2019) Unzueta, Iraultza; Sánchez-Alarcos Gómez, Vicente; Recarte Callado, Vicente; Pérez de Landazábal Berganzo, José Ignacio; Zabala, Nerea; García, José Ángel; Plazaola, Fernando; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; CienciasBy 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.