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Ab initio calculations of electronic and magnetic structures

  • Couverture cartonnée
  • 120 Nombre de pages
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We present first-principles calculations on Fe, Nd, and SmCo5 using the self-consistent full-potential linearized augmented plane ... Lire la suite
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Description

We present first-principles calculations on Fe, Nd, and SmCo5 using the self-consistent full-potential linearized augmented plane wave (FPLAPW) method. The magnetic moments of Fe, Nd and SmCo5 were calculated using the WIEN2K code. The moments for BCC Fe and HCP Nd are 2.27µB and 2.65µB respectively in good agreement with experimental values. The calculated magnetic moment and magneto-crystalline anisotropy are in good agreement with experimental values. The spin-density maps in the (001) plane shows that the effect of the spin-orbit coupling on the spin-density structure of Sm atoms is stronger than that of Coulomb correlation. We also study the influence of the magnetization.

Auteur

Dr. Abeer Esmat is the head of basic science department, institute of engineering and technology.

Informations sur le produit

Titre: Ab initio calculations of electronic and magnetic structures
Auteur:
Code EAN: 9786202319072
ISBN: 978-620-2-31907-2
Format: Couverture cartonnée
Genre: Physique et astronomie
nombre de pages: 120
Poids: 197g
Taille: H7mm x B220mm x T150mm
Parution: 19.11.2018
Année: 2019