Ferrimagnetism and ferromagnetism behavior in (C, Mn) co-doped SnO2 for microwave and spintronic: Ab initio investigation

Ziat, Younes; Hammi, Maryama; Zarhri, Zakaryaa; Laghlimi, Charaf; Rhazouani, O. El

doi:10.1016/j.jmmm.2019.03.084

Cited by 16 publications

(5 citation statements)

References 28 publications

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“…Thus, this approximation allows the replacement of the exchange-correlation term at each point with that of a uniform gas of interacting electrons which allows high precision in the results [19,20]. The KKR-CPA and the Green functions implemented in the MACHIKANEYAMA electronic structure calculation code [21] used in the present work are effective for studying the electronic properties of disordered systems such as alloys because it takes into account (as described by Friedel fourteen years earlier [20]), the influence on electrical conduction of the hybridization of the s − p bands with the d bands as well as of the virtual bound states.…”

Section: Computational Methods and Detailsmentioning

confidence: 99%

Spin moment cancelation of high Curie temperature Ir doped ZrO2 gradual atomic change

et al. 2023

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This paper presents the structural, magnetic properties, and spin moment cancelation phenomenon of the zirconium oxide with a gradual change of zirconium for Iridium. The density functional theory (DFT) is shown to be a key feature of magnetic properties of solid materials treatment. It is shown that a small adjustment of the spin moment (less than 6%) is allowed. The Zr1-xIrxO2 crystal structure deformation leads to a magnetic compensation that occurs at x=0.06. Spin and orbital moments behaviors are discussed. The stability of the alloy compounds is confirmed by energy calculations. The material presents ferromagnetic stability and an indirect exchange coupling with a hybridization effect that permitted the evolution from a non-magnetic to a host material with magnetic properties. The Ir orbitals are set at the Fermi level and are spin polarized which indicates a half metallic behavior then makes the material a good candidate for spintronics’ applications.

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Section: Computational Methods and Detailsmentioning

confidence: 99%

Spin moment cancelation of high Curie temperature Ir doped ZrO2 gradual atomic change

et al. 2023

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“…In the study, the exchange-correlation functional was used combined with the coherent potential approximation (CPA) and the local density approximation (LDA) [18], as well as the generalized gradient approximation (GGA) parameterized by Perdew Burke Ernzerhof (PBE) [19], which is one of the most widely used functionals in calculations involving solids [20]. This ab-initio method is well known in the investigation of the material physical and chemical properties [21][22][23][24][25].…”

Section: Nial Structure and Ab-initio Calculationsmentioning

confidence: 99%

Opto-Electronics Review

Zarhri

2022

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In this study, the copper doping effect on the NiAl structural stability, strength, and electronic structure was investigated. The samples were prepared using induction melting at 2073 K. This material presents good mechanical and physical properties such as hightemperature strength, fatigue or impact, and corrosion resistance which meet technical requirements of many applications. The microstructure of the Cu-doped nickel aluminide was studied using a metallurgical microscope and its lattice parameter was also studied and characterized using an X-ray diffractometer for different concentrations of Cu. The lattice constant of the existing phases was calculated, and it was found that the lattice distortion and gamma prime phase energy have high values allowing the increase of the entropy term of the alloy and subsequently increasing its hardness. From the ab-initio calculation, it was determined that the Cu atoms have the Al sites as a preferred site and prefer to bond with Ni atoms which leads to the improvement of the material hardness. Ab-initio density functional theory was applied to study the formation energy that revealed increasing with Cu amount.

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“…Among the most remarkable properties of graphene e.g. the so-called Klein tunneling, chiral massless particles, and easy control of charge carriers by applying a gate voltage [6][7][8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Quantum transport in novel self-similar structure based on graphene

Miniya,

Oubram,

Gaggero-Sager

2023

Phys. Scr.

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A new self-similar graphene structure with different construction parameters is created to investigate the scalability of transmission coefficient. The transfer matrix formalism is used to calculate transmission spectra for generations of the self-similar structure. Two cases are analyzed: In the first case, the barriers were created by substrates, which induce a gap in the graphene. In the second case, the barriers were created by electric fields that can produce a displacement of the Dirac cones. We find that both cases show self-similarity patterns in their transmission spectra, which can be demonstrated through analytical equations called scaling rules, those rules connecting the generations of the structure. It results when the height of the barriers (V 0) is scaled or not, it gives different scaling rules, which shows that V 0 can be a revealing factor to find alternatives to scaling the transmission coefficient. Scaling rules can be useful because one can determine the transmission coefficient of generation i + 1 only by knowing a generation i.

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Ferrimagnetism and ferromagnetism behavior in (C, Mn) co-doped SnO2 for microwave and spintronic: Ab initio investigation

Cited by 16 publications

References 28 publications

Spin moment cancelation of high Curie temperature Ir doped ZrO2 gradual atomic change

Spin moment cancelation of high Curie temperature Ir doped ZrO2 gradual atomic change

Opto-Electronics Review

Quantum transport in novel self-similar structure based on graphene

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