Effect of Li doping on the electronic and magnetic properties of BiFeO<sub>3</sub> by first principles

Ameer, Shaan; Jindal, Kajal; Tomar, Monika; Jha, Pradip K.; Gupta, Vinay

doi:10.1080/10584587.2018.1514875

Cited by 7 publications

(3 citation statements)

References 16 publications

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“…Upon initial examination, all the graphs depicted in Figure 7 display a consistent pattern for energies beneath the Fermi level, indicative of the shared structural characteristics and environments among the compounds analyzed in this study. The PDOS profiles accentuate the strength of ferromagnetism in doped BFO systems [49]. A more pronounced contrast in the density of states between the spin-up and spin-down channels, with a constant electron count, signifies a greater number of electrons within that particular channel [20].…”

Section: Spin Magnetic Momentmentioning

confidence: 98%

Magneto electric switching Parameters in Single-Phase co-doped Multiferroic Material for Spintronic Applications: DFT Calculations

Tariq,

Chaudhary,

Shaari

et al. 2024

Preprint

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Bismuth ferrite, BiFeO3 (BFO), has garnered significant attention as a thoroughly studied multiferroic material with promising prospects for future spintronic applications, owing to its unique combination of magnetic and electric polarization within a single-phase structure. Frist principle calculations were performed to examine the spin-polarized electronic and magnetic characteristics of BFO in the hexagonal phase, both in its pure state and when doped with lanthanum (La) at A-site and cobalt (Co) at B-site for magnetic switching parameters of spintronic RAM. The inclusion of La and Co atoms leads to alterations in spin polarization in both the spin-up and spin-down channels, resulting in an observed upsurge in the density of energy states (DOS). The observed changes in DOS across both spin channels have a pronounced effect on the magnetic moment. Introducing Co atoms into BFO, both individually and in combination with La, results in an enhancement of the magnetic moment. In the La-Co co-doped substitutional system, a significant volume magnetization of 1.26 (MA/cm) and a linear magneto-electric coupling coefficient of 2.63 ×10− 7 (sec m− 1) have been documented. Particularly, for data transmission within a nano-magnet of a spintronic device, Co-doped BFO demonstrates an exceptionally robust magnetic force of 0.05 T.

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Section: Spin Magnetic Momentmentioning

confidence: 98%

Magneto electric switching Parameters in Single-Phase co-doped Multiferroic Material for Spintronic Applications: DFT Calculations

Tariq,

Chaudhary,

Shaari

et al. 2024

Preprint

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“…Incorporation of elements like Hydrogen (H), Lithium (Li), Carbon (C) during material fabrication is quite evident owing to small radii (H and Li) and ubiquitous nature (C) [1][2][3]. The most abundant source of H is the presence of H 2 gas and humidity (H 2 O) in the stratosphere.…”

Section: Introductionmentioning

confidence: 99%

“…Recently, H atom is found to induce n-type conductivity in 2D GaN [13]. With reference to the tremendous potential offered by the multiferroic oxide, BiFeO 3 , for the development of the futuristic multifunctional devices [1], it is imperative to study in detail the incorporation of light elements in BiFeO 3 , which can influence its electronic structure and properties. Based on first-principles calculation, the energetics, migration kinetics, and electronic properties of H incorporated BiFeO 3 (BFO:H) are studied.…”

Section: Introductionmentioning

confidence: 99%

Role of H impurity as compensating center in BiFeO₃ by first-principle calculations

Ameer¹,

Jindal²,

Tomar³

et al. 2021

Phys. Scr.

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The effect of unintentional doping by a light element like hydrogen atom in an important multiferroic perovskite oxide, BiFeO 3 has been reported. Hydrogen is the lightest element and ubiquitous in the environment and thus is quite likely to get incorporated in material during fabrication stages. Unintentional dopant like H in a material may result in modification of the electronic properties. Formation energy calculations predict that H 1+ impurity is more stable in BFO grown under oxygenrich conditions, whereas, H 1− is only stable in BFO with n-type doping. H 1− is observed to induce doubly ionizable isolated occupied states, whereas, in the case of neutral H atom these states are singly occupied. Based on first principle calculations, H atom is observed to induce isolated impurity states within the forbidden gap which acts as compensating centers for acceptor and donor type impurities.

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Influence of magnetic ordering on electronic, optical and magnetic properties of Bi2Fe4O9

Jindal¹,

Ameer

Tomar³

et al. 2021

Materials Today: Proceedings

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Effect of Li doping on the electronic and magnetic properties of BiFeO₃ by first principles

Cited by 7 publications

References 16 publications

Magneto electric switching Parameters in Single-Phase co-doped Multiferroic Material for Spintronic Applications: DFT Calculations

Magneto electric switching Parameters in Single-Phase co-doped Multiferroic Material for Spintronic Applications: DFT Calculations

Role of H impurity as compensating center in BiFeO₃ by first-principle calculations

Influence of magnetic ordering on electronic, optical and magnetic properties of Bi2Fe4O9

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Effect of Li doping on the electronic and magnetic properties of BiFeO3 by first principles

Cited by 7 publications

References 16 publications

Magneto electric switching Parameters in Single-Phase co-doped Multiferroic Material for Spintronic Applications: DFT Calculations

Magneto electric switching Parameters in Single-Phase co-doped Multiferroic Material for Spintronic Applications: DFT Calculations

Role of H impurity as compensating center in BiFeO3 by first-principle calculations

Influence of magnetic ordering on electronic, optical and magnetic properties of Bi2Fe4O9

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Product

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Effect of Li doping on the electronic and magnetic properties of BiFeO₃ by first principles

Role of H impurity as compensating center in BiFeO₃ by first-principle calculations