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Journals / Gazi University Journal of Science / 2018 / Cilt: 31 - Sayı: 3

The Electronic and Magnetic Properties of New Full-Heusler Compounds: M2IrSi (M=Ti, Cr and Mn)

Evren G. ÖZDEMİR
Ziya MERDAN
Pages
940–952
Publication Date
2022-10-19
DOI
—
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

Finally, Ti2IrSi compound is a conventional half-metallic,Cr2IrSi compound is metallic and Mn2IrSi is a half-metallic ferromagnet within 2.73,1.0 and 3.0µB/f.u. magnetic moment, respectively.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:The structural and magnetic properties of M2IrSi (M=Ti, Cr and Mn) full-Heusler compoundswere investigated using WIEN2k program.
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Key Findings & Data:The ferromagnetic states (FM) were compared to thenon-magnetic states in the Hg2CuTi and Cu2MnAl structures to determine more stable state asenergetically using the optimization curves.
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Conclusion & Impact:Finally, Ti2IrSi compound is a conventional half-metallic,Cr2IrSi compound is metallic and Mn2IrSi is a half-metallic ferromagnet within 2.73,1.0 and 3.0µB/f.u. magnetic moment, respectively.
🔬Design:Modeling & Simulation
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters

Abstract

The structural and magnetic properties of M2IrSi (M=Ti, Cr and Mn) full-Heusler compoundswere investigated using WIEN2k program. The ferromagnetic states (FM) were compared to thenon-magnetic states in the Hg2CuTi and Cu2MnAl structures to determine more stable state asenergetically using the optimization curves. For all compounds, FM states are the most stablestates in the Hg2CuTi type structure. The electronic calculations show that the majorityelectrons of Ti2IrSi, Cr2IrSi and Mn2IrSi compounds have metallic feature. For Ti2IrSi andMn2IrSi compounds, the minority electrons have semiconducting nature with an energy gap of0.89 and 0.41 eV, respectively. Finally, Ti2IrSi compound is a conventional half-metallic,Cr2IrSi compound is metallic and Mn2IrSi is a half-metallic ferromagnet within 2.73,1.0 and 3.0µB/f.u. magnetic moment, respectively.

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Cite This Article

ÖZDEMİR, E. G., MERDAN, Z. (2022). The Electronic and Magnetic Properties of New Full-Heusler Compounds: M2IrSi (M=Ti, Cr and Mn). Gazi University Journal of Science, Cilt: 31 - Sayı: 3, 940–952. https://ajindex.com/articles/521400

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References (13)

  1. Groot, R.A. de, Mueller, F.M., Engen, P.G. van, Buschow, K.H.J., “New class of materials: halfmetallic ferromagnets”, Physical Review Letters, 50: 2024, (1983).
  2. Aguayo, A., Murrieta, G., “Density functional study on the half-metallic ferromagnetism in Cobased Heusler alloys Co2MSn (M=Ti, Zr, Hf) using LSDA and GGA”, Journal of Magnetism and Magnetic Materials, 323: 3013-3017, (2011).
  3. Katsnelson, M.I., Irkhin, V.Y., Chioncel, L., Lichtenstein, A.I., Groot, R.A.de, “Half-metallic ferromagnets: From band structure to many-body effects”, Reviews of Modern Physics, 80: 315, (2008).
  4. Wolf, S.A., Awschalom, D.D., Buhrman, R.A., Daughton, J.M., Molnar, S. von, Roukes, M.L., Chtchelkanova, A.Y., Treger, D.M., “Spintronics: a spin-based electronics vision for the future”, Science, 294: 1488, (2001).
  5. Zutic, I., Fabian, J., Das Sarma, S., “Spintronics: Fundamentals and applications”, Rev. Mod. Phys,. 76: 323, (2004).
  6. Şaşıoğlu, E., Sandratskii, L.M., Bruno, P., Galanakis, I., “Exchange Interactions and Temperature Dependence of Magnetization in half-Metallic Heusler Alloys”, Physical review B., 72: 184415, (2005).
  7. Wurmehl, S., Fechel, G.H., Kandpal, H.C. Ksenofontov, V., Felser, C., Lin, H., “Investigation of Co2FeSi: The Heusler compound with highest Curie temperature and magnetic moment”, Appl. Phys. Lett., 88: 032503, (2006).
  8. Galanakis, I., “Surface Properties of the Half and full-Heusler Alloys”, Journal of Physics: Condensed Matter, 14: 6329, (2002).
  9. Krishnaveni, S., Sundareswari M., Rajagopalan, M., “Prediction of electronic and magnetic properties of full-Heusler Alloy- Ir2CrAl”, Journal of Applied Physics, 7: 52-55, (2015).
  10. Cherid, S., Benstaali, W., Abad, A., Bentata, S., Lantri, T., Abbar, B., “Theoretical prediction of half metallic ferromagnetic full-Heusler alloys”, Solid State Communications, 260: 14-18, (2017).
  11. Kandpal, H.C., Fecher, G.H., Felser, C., “Calculated electronic and magnetic properties of the halfmetallic, transition metal based Heusler compounds”, Journal of Physics D: Applied Physics, 40: 1507, (2007).
  12. Wang, W., Gao, S.S., Meng, Y., “First-principle investigations of the magnetic properties and possible martensitic transformation in Ni2MnX (X= Al, Ga, In, Si, Ge and Sn)”, Journal of Magnetism and Magnetic Materials, 371: 135-138, (2014).
  13. Qi, S., Shen, J., Zhang, C.H., “First-principles study on the structural, electronic and magnetic properties of the Ti2VZ (Z=Si, Ge, Sn) full-Heusler compounds”, Materials Chemistry and Physics, 164: 177-182