Enlightening the stable ferromagnetic phase of SrAO3(A= Cr, Fe and Co) compounds using spin polarized quantum mechanical approach

Tariq, Saad; Mubarak, A. A.; Kanwal, Bushra; Hamioud, Farida; Afzal, Qadeer; Zahra, Sarwat

doi:10.1016/j.cjph.2019.10.018

Cited by 15 publications

(2 citation statements)

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“…We observed that the electron states were distributed on 2s 2 and 2p 4 orbital configurations for oxygen atoms; 4s 2 , 4p 6 , and 5s 1 for rubidium atoms; 4s 2 , 4p 6 , and 5s 2 for strontium atoms; and 4s 2 , 4p 6 , 4d 7 , and 5s 1 for the ruthenium atoms. The Fermi level was fixed at 0 eV, where the overlap was clear at this level.…”

Section: Density Of States and Magnetic Momentsmentioning

confidence: 86%

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Lattice Parameters, Electronic, and Magnetic Properties of Cubic Perovskite Oxides ARuO3 (A=Sr, Rb): A First‑Principles Study

Younsi¹,

Gacem²,

Soltani³

2021

RCMA

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Trioxides of rubidium, strontium, and ruthenium belong to the family of alkali and alkaline earth ruthenates. SrRuO3 crystallizes in various symmetry classes—orthorhombic, tetragonal, or cubic—whereas RbRuO3 is perovskite (cubic) structured and crystallizes only in the cubic space group Pm3¯¯¯m(No. 221). In this study, we investigated the structural stability as well as the electronic and magnetic properties of two cubic perovskites SrRuO3 and RbRuO3. We established the corresponding lattice parameters, magnetic moments, density of states (DOS), and band structures using ab‑initio density‑functional theory (DFT). Both compounds exhibited a metallic ferromagnetic ground state with lattice parameter values between 3.83 and 3.96 Å; RbRuO3 had magnetic moments between 0.29 and 0.34 µBwhereas SrRuO3 had magnetic moments between 1.33 and 1.66 µB. This study paves way for further RbRuO3 research.

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Section: Density Of States and Magnetic Momentsmentioning

confidence: 86%

“…For example, Xiao et al [6] reported lattice parameters between 3.50 and 3.61 Å for SrSiO3. Tariq et al [7] theoretically computed lattice parameters between 3.80 and 3.85 Å for cubic perovskites of SrAO3 (A = Cr, Fe, and Co).…”

Section: Introductionmentioning

confidence: 99%