2018 Research in the Capitol

Presentation Type

Open Access Poster Presentation

Abstract

In recent years, research on magnetic materials has been one of the most technologically appealing developments in materials science. Among other applications, magnetic materials are essential components of data storage and information processing in computer hardware elements, such as hard drives and random access memories. Here, we present a theoretical study of structural, magnetic and electronic properties of ferrimagnetic Co2Ti1−xFexSi (x = 0, 0.25, 0.5), using density functional calculations. We show that the magnetic moment of Co2Ti1−xFexSi increases when Ti is substituted with Fe, consistent with experimental findings. Calculations also indicate that Co2Ti1−xFexSi remains nearly half-metallic for x ≤ 0.5. The Curie temperature is enhanced due to Fe substitution from 340 K for Co2TiSi to 780 K for Co2Ti0.5Fe0.5Si. The change in Fe concentration is also found to affect the lattice constant. The predicted large band gaps and high Curie temperatures make these materials promising for room temperature spin-based electronics.

Start Date

3-4-2018 11:30 AM

End Date

3-4-2018 1:30 PM

Event Host

University Honors Programs, Iowa Regent Universities

Faculty Advisor

Pavel Lukashev

Department

Department of Physics

File Format

application/pdf

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Apr 3rd, 11:30 AM Apr 3rd, 1:30 PM

Effect of Fe substitution on structural, magnetic and electron-transport properties of half-metallic Co2TiSi

In recent years, research on magnetic materials has been one of the most technologically appealing developments in materials science. Among other applications, magnetic materials are essential components of data storage and information processing in computer hardware elements, such as hard drives and random access memories. Here, we present a theoretical study of structural, magnetic and electronic properties of ferrimagnetic Co2Ti1−xFexSi (x = 0, 0.25, 0.5), using density functional calculations. We show that the magnetic moment of Co2Ti1−xFexSi increases when Ti is substituted with Fe, consistent with experimental findings. Calculations also indicate that Co2Ti1−xFexSi remains nearly half-metallic for x ≤ 0.5. The Curie temperature is enhanced due to Fe substitution from 340 K for Co2TiSi to 780 K for Co2Ti0.5Fe0.5Si. The change in Fe concentration is also found to affect the lattice constant. The predicted large band gaps and high Curie temperatures make these materials promising for room temperature spin-based electronics.