Ferromagnetism, half-metallicity and spin-polarised electronic structures characterisation insights in Ca1−xTixO

Korichi, K.; Doumi, Bendouma; Mokaddem, Allel; Sayede, Adlane; Tadjer, A.

doi:10.1080/14786435.2020.1723812

Cited by 7 publications

(3 citation statements)

References 60 publications

(100 reference statements)

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“…Therefore, the Ba0.785Ti0.125O becomes harder than BaO. The behaviours of these two parameters of Ba0.785Ti0.125O compound were observed for BaO doped with Cr [7] and CaO doped with Ti [16]. It should be noted that there are no experimental and theoretical studies on Ba0.785Ti0.125O material in order to compare them with our results of structural parameters.…”

Section: Structural Propertiessupporting

confidence: 50%

“…These compounds are characterised by intermediate properties that combine non-magnetic semiconductor and magnetic behaviours, which are obtained by doping non-magnetic semiconductors with magnetic elements for example transition metals and rare-earth [3][4][5]. The half-metallic ferromagnets DMS with spin polarisation of 100 % have been considered an important class of materials for spintronics because their electronic structures show a semiconductor feature in one direction of spins and a metallic character in the other spin channel [6,7]. However, spintronics processes the spin of the electron as well as its charge to obtain new functionalities in spin-based devices.…”

Section: Introductionmentioning

confidence: 99%

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Characterization of Electronic Properties, Exchange Splitting and Ferromagnetic Arrangement in New Ti-Doped BaO

Hachemaoui¹,

Meskine²,

Mokaddem³

et al. 2020

Preprint

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We have studied the electronic structures, ferromagnetic properties, half-metallicity and exchange splitting in BaO doped with titanium such as Ba1-xTixO at concentration x = 0.125. The structural parameters of BaO and Ba0.875Ti0.125O compounds are calculated with generalised gradient approximation of Wu and Cohen, while their electronic structures, accurate band gaps and magnetic properties are evaluated by the use of the Tran-Blaha-modified Becke-Johnson potential. The changes of lattice parameter and bulk modulus of Ba0.875Ti0.125O are discussed with respect to the BaO. We have found that the Ba0.875Ti0.125O has a wide half-metallic ferromagnetic gap of 2.701 eV and a half-metallic gap of 0.803 eV with integral Bohr magneton of 2 μB, where its ferromagnetic state is characterised by the main contribution of the direct exchange splitting. Therefore, the Ba0.875Ti0.125O is true half-metallic ferromagnet with spin polarisation of 100 % and appears to be promising material for spintronics applications.

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Section: Structural Propertiessupporting

confidence: 50%

Section: Introductionmentioning

confidence: 99%

Characterization of Electronic Properties, Exchange Splitting and Ferromagnetic Arrangement in New Ti-Doped BaO

Hachemaoui¹,

Meskine²,

Mokaddem³

et al. 2020

Preprint

Self Cite

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“…In most cases, magnetic semiconductors have low Curie temperatures. Interest in DMSs was recently aroused by theoretical and experimental work on semiconductors [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. DMS based on the transition element doped and on semiconductors has two important characteristics.…”

Section: Introductionmentioning

confidence: 99%

DFT based investigation of the structural, magnetic, electronic, and half-metallic properties of solid In1-xTixSb solutions

Amrani¹,

Berber²,

Mebrek³

2021

Condens. Matter Phys.

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With the intention to reveal the effect of the substitution, Ti-doped InSb alloy, we accomplished a first-principles prediction within the FPLAPW+lo method. We used GGA-PBEsol scheme attached with the improved TB-mBJ approach to predict structural, electronic, and magnetic properties of In1-xTixSb with concentration x=0, 0.125, 0.25, 0.50, 0.75, 0.875, and 1. Our lattice parameters are found in favorable agreement with the available theoretical and experimental data. The calculation shows that all structures are energetically stable. The substitutional doping transforms the ionic character of the InSb compound in half-metallic ferromagnetic comportment for concentration x = 0, 0.125, 0.25, and 0.50, with a spin polarization of 100% at the Fermi level, and metallic nature for In0.25Ti0.75Sb and In0.125Ti0.875Sb. The total magnetic moments are also estimated at about 1 mu;B. In0.875Ti0.125Sb, In0.75Ti0.25Sb, and In0.50Ti0.50Sb have half-metallic ferromagnets comportment and they can be upcoming applicants for spintronics applications.

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Theoretical characterization of induced ferromagnetism, half-metallic behavior, electronic properties in new Ti-doped BaO

et al. 2021

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Ferromagnetism, half-metallicity and spin-polarised electronic structures characterisation insights in Ca_1−xTi_xO

Cited by 7 publications

References 60 publications

Characterization of Electronic Properties, Exchange Splitting and Ferromagnetic Arrangement in New Ti-Doped BaO

Characterization of Electronic Properties, Exchange Splitting and Ferromagnetic Arrangement in New Ti-Doped BaO

DFT based investigation of the structural, magnetic, electronic, and half-metallic properties of solid In1-xTixSb solutions

Theoretical characterization of induced ferromagnetism, half-metallic behavior, electronic properties in new Ti-doped BaO

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