On the nature of the (de)coupling of the magnetostructural transition in Er5Si4
authors Costa, RM; Belo, JH; Barbosa, MB; Algarabel, PA; Magen, C; Morellon, L; Ibarra, MR; Goncalves, JN; Fortunato, NM; Amaral, JS; Araujo, JP; Pereira, AM
nationality International
journal PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
author keywords density functional theory; first-principles; free energy model; magnetocaloric effect; structural phase transition
keywords MAGNETIC REFRIGERATION
abstract In this report, a successful thermodynamical model was employed to understand the structural transition in Er5Si4, able to explain the decoupling of the magnetic and structural transition. This was achieved by DFT calculations, which were used to determine the energy differences at 0K, using a LSDA+U approximation. It was found that the M structure is the stable phase at low temperatures, as verified experimentally with a value of Delta F-0=-0.262eV. Finally, a variation of Seebeck coefficient (similar to 6 mu V) was determined at the structural transition, which allows to conclude that the electronic entropy variation is negligible in the transition. (C) 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
publisher WILEY-V C H VERLAG GMBH
issn 0370-1972
year published 2017
volume 254
issue 10
digital object identifier (doi) 10.1002/pssb.201700143
web of science category Physics, Condensed Matter
subject category Physics
unique article identifier WOS:000412897900019
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journal analysis (jcr 2017):
journal impact factor 1.729
5 year journal impact factor 1.568
category normalized journal impact factor percentile 38.060
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