Email this article 
Electronic properties of the Mn3Z (Z = Ga, Ge) alloys: first-principles studies
- Authors: Obambi M.A.1, Zagrebin M.A.1, Buchelnikov V.D.1
-
Affiliations:
- Chelyabinsk State University
- Issue: Vol 87, No 4 (2023)
- Pages: 481-484
- Section: Articles
- URL: https://jdigitaldiagnostics.com/0367-6765/article/view/654421
- DOI: https://doi.org/10.31857/S0367676522700855
- EDN: https://elibrary.ru/NLHTRJ
- ID: 654421
Cite item
Open Access
Access granted
Subscription Access
Abstract
The structural and electronic properties of Mn3Z alloys (Z = Ga, Ge) are studied ab initio. It is shown that in the cubic and tetragonal phases, the configuration with antiparallel orientation of magnetic moments of Mn atoms on different sublattices is energetically favorable. Calculations of the electronic densities of states show that the spin polarization of the tetragonal phase is about 60%. The results obtained are in good agreement with the experimental data.
About the authors
M. A. Obambi
Chelyabinsk State University
Email: miczag@mail.ru
Russia, 454001, Chelyabinsk
M. A. Zagrebin
Chelyabinsk State University
Author for correspondence.
Email: miczag@mail.ru
Russia, 454001, Chelyabinsk
V. D. Buchelnikov
Chelyabinsk State University
Email: miczag@mail.ru
Russia, 454001, Chelyabinsk
References
- Felser C., Hirohata A. Heusler alloys: properties, growth, applications. V. 222. Basel, Switzerland: Springer Nature, 2016.
- Марченков В.В., Ирхин В.Ю. // Физ. мет. и металловед. 2021. Т. 122. № 12. С. 1221; Marchenkov V.V., Irkhin V.Y. // Phys. Met. Metallogr. 2021. V. 122. P. 1133.
- Wurmehl S., Kandpal H.C., Fecher G.H., Felser C. // J. Phys. Cond. Matter. 2006. V. 18. P. 6171.
- Krén E., Kádár G. // Solid State Commun. 1970. V. 8. No. 20. P. 1653.
- Brown P.J., Nunez V., Tasset F. et al. // J. Phys. Cond. Matter. 1990. V. 2. P. 9409.
- Zhang D., Yan B., Wu S.-C. et al. // J. Phys. Cond. Matter. 2013. V. 25. Art. No. 206006.
- Winterlik J., Chadov S., Gupta A. et al. // Adv. Mater. 2012. V. 24. No. 47. P. 6283.
- Niida H., Hori T., Onodera H. et al. // J. Appl. Phys. 1996. V. 79. No. 8. P. 5946.
- Winterlik J., Balke B., Fecher G.H. et al. // Phys. Rev. B. 2008. V. 77. No. 5. Art. No. 054406.
- Balke B., Fecher G.H., Winterlik J., Felser C. // Appl. Phys. Lett. 2007. V. 90. Art. No. 152504.
- Kurt H., Rode K., Venkatesan M. et al. // Phys. Rev. B. 2011. V. 83. Art. No. 020405(R).
- Kurt H., Baadji N., Rode K. et al. // Appl. Phys. Lett. 2012. V. 101. Art. No. 132410.
- Ebert H., Ködderitzsch D., Minár J. // Rep. Prog. Phys. 2011. V. 74. Art. No. 096501.
- Zabloudil J., Hammerling R., Szunyogh L., Weinberger P. // Phys. Rev. B. 2006. Art. No. 115410.
- Zagrebin M.A., Sokolovskiy V.V., Buchelnikov V.D. // J. Phys. D. 2016. V. 49. Art. No. 355004.
- Jourdan M., Minár J., Braun J. et al. // Nature Commun. 2014. V. 5. Art. No. 3974.
- Kresse G., Furthmüller J. // Phys. Rev. B. 1996. V. 54. Art. No. 11169.
- Kresse G., Joubert D. // Phys. Rev. B. 1999. V. 59. P. 1758.
- Perdew J.P., Burke K., Ernzerhof M. // Phys. Rev. Lett. 1996. V. 77. P. 3865.
Supplementary files
