First Principles Investigation of the Influence of Varied Cr Atom on Band Structure and Magnetic Moment of Rutile SnO2

Authors

  • F. Ayedun National Open University of Nigeria, Abuja, FCT, Nigeria
  • Etido P. Inyang National Open University of Nigeria, Abuja, FCT, Nigeria
  • E.A. Ibanga National Open University of Nigeria, Abuja, FCT, Nigeria

Keywords:

Rutile, First-principles, Generalized Gradient Approximation (GGA), Magnetic moment, magnetic dipole moment

Abstract

Communication in Physical Sciences, 2020, 6(2): 892-898

Authors: Funmilayo  Ayedun, Etido P. Inyang  and Efiong A. Ibanga

Received 18 November 2020/Accepted 24 December 2020

The electronic and magnetic properties of SnO2 doped with various compositions of chromium atoms are reported. Studies on magnetic property of CrxSn1-xO2 compounds features possible room temperature ferromagnetism which increased nonlinearly as Sn atom is replaced with Cr atom, at x = 0.25( 1.9976 ), x =  0.50 ( 3.9309 ), x = 0.75( 5.8831 ) and x = 1.00 (7.821 ). The magnetic moment and bandgap energy of undiluted SnO2 were compared at x = 0. The addition of Cr atom into SnO2 enhanced the shift from pure binary nonmetallic system to ternary metallic compound. The direct energy gaps decrease from x = 0 to 0.5, and increase from x = 0.75 to 1.00

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Author Biographies

F. Ayedun, National Open University of Nigeria, Abuja, FCT, Nigeria

Department of Pure and Applied Science

Etido P. Inyang, National Open University of Nigeria, Abuja, FCT, Nigeria

Department of Pure and Applied Science

E.A. Ibanga, National Open University of Nigeria, Abuja, FCT, Nigeria

Department of Pure and Applied Science

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Published

2020-12-30

Issue

Vol. 6 No. 2 (2020): VOLUME 6(ISSUE 2)

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Articles

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