Electronic, optical and magnetic characteristics of V doped BeS

Ambreen, Hina; Aldaghfag, Shatha A.; Yaseen, Muhammad; Iqbal, Javed; Zahid, Muhammad; Dahshan, A.; Hegazy, H.H.

doi:10.1088/1402-4896/ac6910

Cited by 6 publications

(3 citation statements)

References 26 publications

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“…Ambreen et al, explored the physical features of V/Mn doped BeS by using FP-LAPW approach. The results illustrated the Mn/V sites play significant role in total magnetic moment with minor participation of Be and S and increase with increasing doping content [17,18]. Further, theoretical investigation were executed to observe HM nature in similar compounds such as Cr-doped MgSe [18], V doped SrO [19], BaS [20] and Cr doped SrX (X=S, Se, Te) etc Hassan et al, examined the magnetic, optical and TE characteristics of Co doped CdX (X=S, Se, Te) in which TE characteristics elucidate an optimum TE performance at high temperature while Co doping suppresses the TE nature [21].…”

Section: Introductionmentioning

confidence: 95%

Investigation of Mn doped BaS for spintronic and thermoelectric applications

et al. 2022

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In this paper, the first principle investigations are performed to compute the electronic, optical, magnetic and thermoelectric (TE) features of Ba1-xMnxS (x= 6.25%, 12.5% and 25%) alloys by using density functional theory (DFT). The semiconductor behavior of pure BaS and half metallic ferromagnetic (HMF) nature of Ba1-xMnxS (x= 6.25%, 12.5% and 25%) is confirmed by investigating electronic band structure (EBS) with spin-resolved density of states (DOS). The MTot is mainly originated from Mn atom due to the presence of 3d-orbitals. In addition, the optical constants including refractive index, absorption and optical spectrum, reflectivity and dielectric function are analyzed in the span of 0-10 eV. It is found that the studied alloy operate within visible to ultraviolet (UV) energy range. Moreover, the TE properties such as figure of merit (ZT), power factor (PF), electrical and thermal conductivity are also calculated by using the BoltzTrap package. The high values of ZTof Ba1-xMnxS (x= 6.25%, 12.5% and 25%) qualify it for use in TE applications.The outcomes revealed the application of Ba1-xMnxS in spintronic and TE gadgets.

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Section: Introductionmentioning

confidence: 95%

Investigation of Mn doped BaS for spintronic and thermoelectric applications

et al. 2022

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“…From past few decades, an intensive experimental and theoretical work is done on an emergent group of compounds which is recognized as the dilute magnetic semiconductors (DMS). DMS has use in spintronic industry and multifunctional electronic devices (optoelectronics, gas sensors, field-emission devices, non-volatile memory devices and ultraviolet absorbers) [1][2][3][4][5][6]. The DMS are based on III-V and II-VI binary compounds which is the combination of both ferromagnetic (FM) and semiconducting properties.…”

Section: Introductionmentioning

confidence: 99%

Exploring of Be1-xCrxSe alloys for spintronics and optoelectronic applications

Ambreen,

Saleem,

Aldaghfag

et al. 2024

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In this study, spin polarized density functional theory (DFT) is implemented to predict physical characteristic of Be1-xCrxSe (x = 6.25%, 12.5%, 18.75%, 25%) compound. The electronic characteristics of pure BeSe compound show semiconductor behavior but after Cr doping BeSe elucidate half-metallic ferromagnetism (HMF) for all doping concentrations. The outcomes elucidate the total magnetic moment MTot per Cr-atom are 4.0028, 4.0027, 4.0021 and 4.0002 μB for 6.25%, 12.5%, 18.75%, 25% concentrations, respectively and the magnetism mainly originated from d-state of the impurity atom which is further ensured from the magnetic spin density. Furthermore, the optical parameters are also computed to determine the effect of doping on the material’s response to incident light of energy spanning from 0 to 10 eV. The optical study depict that the studied systems possess maximum absorbance and optical conductivity in UV-range with minimal reflection. The overall outcomes illustrate that the Cr doped beryllium selenide (BeSe) is promising material for spintronic and optoelectronic devices.

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“…Moreover, induction of ferromagnetism in nonmagnetic Perovskites compound is significant from experimentally and theoretically prospective because of spin functionality addition to host crystal [10][11][12][13]. In addition to this, multiferroic compounds are being obtained by doping of transition metal (TM) [14]. The TM ions exhibit intrinsic functionalities such as superconductivity, ferroelectricity, thermoelectricity, and magnetism [15,16].…”

Section: Introductionmentioning

confidence: 99%

Physical characteristics of LaCrxAl1-xO3: DFT approach

Javid¹,

Aldaghfag²,

Butt³

et al. 2022

JOR

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"The magnetic, electronic, and optical properties of Cr doped LaAlO3 are examined by Full Potential linearized augmented plane wave (FP-LAPW) method within Density functional theory (DFT). The pure compound (LaAlO3) is doped with different concentrations of chromium (Cr) to examine the doping effects on its characteristics. The calculations of band structure (BS) and density of states show Cr has major contribution while La, Al and O atoms have little involvement in the states near Fermi level. The magnetic features revealed that Cr plays major participation in ferromagnetic nature of LaCrxAl1-xO3. The results of electronic and optical revealed that the compound under study is suitable for spintronics and optoelectronics applications. "

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Electronic, optical and magnetic characteristics of V doped BeS

Cited by 6 publications

References 26 publications

Investigation of Mn doped BaS for spintronic and thermoelectric applications

Investigation of Mn doped BaS for spintronic and thermoelectric applications

Exploring of Be1-xCrxSe alloys for spintronics and optoelectronic applications

Physical characteristics of LaCrxAl1-xO3: DFT approach

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