Designing new ferromagnetic double perovskites: the coexistence of polar distortion and half-metallicity

Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Shabani, Alireza; Adam, Jost

doi:10.1039/d1cp02479e

Cited by 3 publications

(1 citation statement)

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“…The regularity of the octahedra distortion can be quantified using the octahedral bond-length distortion parameter that can be obtained as where the individual B(B′)–O bond distances are given by d n and 〈 d n 〉 is the average of B(B′)–O bond lengths. 40 The obtained distortion parameter values for Mn/FeO 6 and TaO 6 octahedra in SMTO and SFTO are listed in Table 2 . The results show that MnO 6 octahedra undergo a higher distortion than FeO 6 , which can be attributed to the Jahn–Teller (JT) effect due to the electron configuration of Mn 3+ : 3d 4 .…”

Section: Resultsmentioning

confidence: 99%

A theoretical study of new polar and magnetic double perovskites for photovoltaic applications

2022

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Section: Resultsmentioning

confidence: 99%

A theoretical study of new polar and magnetic double perovskites for photovoltaic applications

2022

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Enhancement of microwave absorption ability of Nd0.67Sr0.33Mn1-xNix/2Tix/2O3 (x = 0, 0.03, and 0.06)

Saptari,

Syarifuddin,

Tjahjono

et al. 2024

emergent mater.

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Cs2KMnCl6: A possible half-metallic double perovskite for spintronics

Ramawat

Kukreti

Kale

et al. 2023

Journal of Applied Physics

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Materials with 100% spin polarisation, high-speed conduction electrons, high Curie temperatures, and ferromagnetic ground state are known for spintronics. Double perovskites (DPs) with these features are becoming popular nowadays. Herein, introducing another halide-based DP, we determined that Cs2KMnCl6 is a robust intrinsic 3d ferromagnetic half-metal with a 4 μB magnetic moment per unit cell. It exhibits the metallic band for the spin-up configuration, enabling their smooth transport, together with a massive gap of ∼4.51 eV for the spin-down states, thus protecting it from spin–flip transitions. The calculated structural and elastic stability criteria substantiate the stability of the cubic Cs2KMnCl6 double perovskite with a F m 3 ¯ m symmetry. The 3d states of Mn mainly contribute to the robust ferromagnetism above room temperature and show Tc ∼ 534 K. The different Fermi surface topologies within the Brillouin zone establish its conducting nature for up-spin channels and favor the spin-polarized transport. Moreover, the spin-polarized dielectric constant and absorption coefficient also evidenced the half-metallic characteristics. Therefore, our findings offer a novel DP system for investigating spintronic application.

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Designing new ferromagnetic double perovskites: the coexistence of polar distortion and half-metallicity

Abstract: The concurrence of half-metallicity and polar nature in Ca2MnVO6 and Ba2MnVO6 double perovskites making them suitable candidates for spintronic device applications.

Cited by 3 publications

References 42 publications

A theoretical study of new polar and magnetic double perovskites for photovoltaic applications

A theoretical study of new polar and magnetic double perovskites for photovoltaic applications

Enhancement of microwave absorption ability of Nd0.67Sr0.33Mn1-xNix/2Tix/2O3 (x = 0, 0.03, and 0.06)

Cs2KMnCl6: A possible half-metallic double perovskite for spintronics

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