Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering

Abstract Using ab-initio calculations, the electronic and magnetic properties of double perovskite oxide $${\text{Sr}}_2 {\text{CrReO}}_6$$ Sr 2 CrReO 6 with two type of strains: biaxial (along the [110]-direction) and hydrostatic (along [111]-direction) are investigated. The ground state of the uns...

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Autores principales:	Qurat-Ul Ain, Shahnila Naseem, Safdar Nazir
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/3a45e0e8b4dd422c9ac6a1be92241705
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spelling	oai:doaj.org-article:3a45e0e8b4dd422c9ac6a1be922417052021-12-02T18:50:59ZRobust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering10.1038/s41598-020-70768-72045-2322https://doaj.org/article/3a45e0e8b4dd422c9ac6a1be922417052020-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-70768-7https://doaj.org/toc/2045-2322Abstract Using ab-initio calculations, the electronic and magnetic properties of double perovskite oxide $${\text{Sr}}_2 {\text{CrReO}}_6$$ Sr 2 CrReO 6 with two type of strains: biaxial (along the [110]-direction) and hydrostatic (along [111]-direction) are investigated. The ground state of the unstrained system is half-metallic ferrimagnetic, due to a strong antiferromagnetic (AFM) coupling between Cr and Re atoms within both (GGA and GGA+U) exchange-correlation potentials. It is demonstrated that the robustness of half-metallicity can be preserved under the influence of both biaxial and hydrostatic strains. Interestingly, a transition from ferri-to-ferromagnetic is established due to Re spin flipping to that of the Cr ion (i.e. Cr and Re spin becomes parallel) within the GGA+U method for both biaxial and hydrostatic tensile strains of $$\ge +2\%$$ ≥ + 2 % . The strong confinement of orbitals due to tensile strain results in the decrease of electron hopping which further reduced the AFM coupling strength between Cr and Re atoms, this leads to a ferri-to-ferromagnetic transition. However, the GGA scheme holds the ferrimagnetic state with both kinds of strains. This work shows that tensile strain is a feasible way to optimize the magnetic properties of perovskite oxides, which are presumed to be beneficial for spintronic technology.Qurat-Ul AinShahnila NaseemSafdar NazirNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-12 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Qurat-Ul Ain Shahnila Naseem Safdar Nazir Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering
description	Abstract Using ab-initio calculations, the electronic and magnetic properties of double perovskite oxide $${\text{Sr}}_2 {\text{CrReO}}_6$$ Sr 2 CrReO 6 with two type of strains: biaxial (along the [110]-direction) and hydrostatic (along [111]-direction) are investigated. The ground state of the unstrained system is half-metallic ferrimagnetic, due to a strong antiferromagnetic (AFM) coupling between Cr and Re atoms within both (GGA and GGA+U) exchange-correlation potentials. It is demonstrated that the robustness of half-metallicity can be preserved under the influence of both biaxial and hydrostatic strains. Interestingly, a transition from ferri-to-ferromagnetic is established due to Re spin flipping to that of the Cr ion (i.e. Cr and Re spin becomes parallel) within the GGA+U method for both biaxial and hydrostatic tensile strains of $$\ge +2\%$$ ≥ + 2 % . The strong confinement of orbitals due to tensile strain results in the decrease of electron hopping which further reduced the AFM coupling strength between Cr and Re atoms, this leads to a ferri-to-ferromagnetic transition. However, the GGA scheme holds the ferrimagnetic state with both kinds of strains. This work shows that tensile strain is a feasible way to optimize the magnetic properties of perovskite oxides, which are presumed to be beneficial for spintronic technology.
format	article
author	Qurat-Ul Ain Shahnila Naseem Safdar Nazir
author_facet	Qurat-Ul Ain Shahnila Naseem Safdar Nazir
author_sort	Qurat-Ul Ain
title	Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering
title_short	Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering
title_full	Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering
title_fullStr	Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering
title_full_unstemmed	Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering
title_sort	robust half-metallicity and magnetic phase transition in sr2crreo6 via strain engineering
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/3a45e0e8b4dd422c9ac6a1be92241705
work_keys_str_mv	AT quratulain robusthalfmetallicityandmagneticphasetransitioninsr2crreo6viastrainengineering AT shahnilanaseem robusthalfmetallicityandmagneticphasetransitioninsr2crreo6viastrainengineering AT safdarnazir robusthalfmetallicityandmagneticphasetransitioninsr2crreo6viastrainengineering
_version_	1718377440878788608

Robust half-metallicity and magnetic phase transition in Sr2CrReO6 via strain engineering

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