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Anisotropic elastic properties of FexB (x = 1, 2, 3) under pressure. First-principles study

Identyfikatory
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
Spin-polarization (SP) and pressure effects have been used to better clarify and understand anisotropic elastic properties of Fe-B intermetallic compounds using the first-principles calculation with generalized gradient approximation (GGA) within the plane-wave pseudopotential density functional theory. Elastic properties, including bulk, shear and Young’s moduli as well as Poisson ratio were obtained by Voigt-Reuss-Hill approximation. All studied Fe-B compounds were mechanically stable. The brittle and ductile properties were discussed using bulk to shear moduli ratio (B/G) of the studied structures in the pressure range of 0 GPa to 90 GPa in order to predict the critical pressure of phase transition from ferromagnetic (FM) to nonmagnetic (NM) state. Mechanical anisotropy in both cases was discussed by calculating different anisotropic indexes and factors. We have plotted three-dimensional (3D) surfaces and planar contours of the bulk and Young’s moduli of Fex B (x = 1, 2, 3) compounds for some crystallographic planes, (1 0 0), (0 1 0) and (0 0 1), to reveal their elastic anisotropy. On the basis of anisotropic elastic properties the easy and hard axes of magnetization for the three studied compounds were predicted.
Rocznik
Strony
503--516
Opis fizyczny
Bibliogr. 47 poz., rys., tab.
Twórcy
autor
  • Laboratoire de Physique des Matériaux, Université Amar Telidji de Laghouat; BP37G, Laghouat 03000, Algeria, ghahmed2012@gmail.com
  • Département de Physique, Faculte des Sciences, Université A.B. Belkaid Tlemcen, BP 119, Tlemcen 13000, Algeria
autor
  • Laboratoire de Physique des Matériaux, Université Amar Telidji de Laghouat; BP37G, Laghouat 03000, Algeria
autor
  • Laboratory University of Sidi Bel-Abbčs, 22000 Sidi Bel-Abbčs, Algeria
autor
  • Laboratoire de Physique des Matériaux, Université Amar Telidji de Laghouat; BP37G, Laghouat 03000, Algeria
Bibliografia
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Uwagi
Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-14296e82-31c5-4f9c-b5af-888513226605
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