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    • Fulltext

       

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/044/0093

    • Keywords

       

      Iron–cobalt alloy; bulk magnetic moment; electronic density of states.

    • Abstract

       

      In this study, we present results of the electronic density of states (DOS) and bulk magnetic moment of iron (Fe), cobalt (Co) and their alloys (Fe$_x$Co$_{1–x}$; x = 1.0, 0.95, …, 0.0). Density functional theory with the generalized gradient approximation was applied to obtain geometric and electronic properties. The methodology uses virtual crystal approximation, in conjunction with CASTEP module and the functionals PBE and PBESol of the molecular simulation program Material Studio. We optimized the geometry of the bulk (obtaining their lattice parameters), which the structure was used to determine the bulk magnetic moments. To determine the magnetic moment, we calculated the difference of the electronic DOS of the electrons with spin up and spin down. The geometric optimization and magnetic moment obtained in the present study are very similar to the experimental results, with a maximum error of 8%, which makes the present article interesting.

    • Author Affiliations

       

      M SOLORZA-GUZMÁN1 G RAMÍREZ-DÁMASO2 F L CASTILLO-ALVARADO3

      1. Escuela Superior de Cómputo del Instituto Politécnico Nacional, C. P. 07738 Ciudad de México, México
      2. Escuela Superior de Ingeniería y Arquitectura ‘‘Unidad Ticomán’’ del Instituto Politécnico Nacional, C. P. 07340 Ciudad de México, México
      3. Escuela Superior de Física y Matemáticas del Instituto Politécnico Nacional, C. P. 07738 Ciudad de México, México

    • Dates

       
      Published
      15 April 2021
      Manuscript received
      2 November 2020
      Accepted
      28 December 2020
      Final version published online
      15 April 2021

  • Bulletin of Materials Science | News

    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

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