Electronic, magnetic and magneto-caloric properties in intermetallic compound PrSi

Fdil, R. El; Essajai, R.; Ennassiri, N.; Zidane, Mustapha; Salmani, E.; Abbassi, A.; Hassanaı̈n, N.; Mzerd, A.; Ez‐Zahraouy, H.

doi:10.1080/01411594.2020.1844201

Cited by 10 publications

(3 citation statements)

References 32 publications

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“…-DS , mag Max is found to be 17,13 JKg −1 K −1 at 5 T, which is consistent with that obtained experimentally (17.3JKg −1 K −1 , 17JKg −1 K −1 ) [16,35]. This good agreement has been often found for different materials using ab-initio calculations and MC simulation [30,36].…”

Section: Lattice Constantssupporting

confidence: 90%

“…The inserted picture in figure 5 indicates the Relative Cooling Power (RCP) of GdNi intermetallic compound for different values of the applied magnetic field (h). It was observed that this parameter is very sensitive to h, its value increases monotonically with h. This behavior has been detected qualitatively in previous work [30,36]. Moreover, it was indicated that, in good agreement with a recent experimental work on GdNi intermetallic compound [37], RCP reaches 549 Jkg −1 at 5 T. In order to get a better comparison of MCE, this latter for GdNi and some other refrigerant compounds with similar transition temperature and under the same field change are summarized in table 3.…”

Section: Lattice Constantssupporting

confidence: 82%

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Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation

Aziz,

Essajai,

Benyoussef

et al. 2023

Phys. Scr.

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Theoretical study on the ground state proprieties of GdNi intermetallic compound and its magnetic observable curves, as well as its magneto-caloric effect (MCE) were performed. It was established that the magnetic moment of Gd atom is found to be 7.11 μB and the exchange coupling parameters are found to be J1=3.7 meV and J2= 2.06 meV. Moreover, in good agreement with a recent experimental work, the magnetization, magnetization derivative and susceptibility curves confirmed that the studied sample undergoes a ferromagnetic ordering at Tc =70K. Further, it was found that MCE in regard to the peak value of magnetic entropy ( -∆Smag(T)) around Tc, can be enhanced with high magnetic fields. Besides,- ∆SmagMax (the maximum value of -∆Smag(T)) and RCP (Relative Cooling Power) attain maximum values of 17,13 JKg−1K−1and 549 Jkg-1close to Tc, respectively for external magnetic field of 5T, being in good agreement with the experimental ones. The present findings enable us to say that GdNi-based magnetic refrigeration can be considered as a promising technology for the nitrogen liquefaction process.

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Section: Lattice Constantssupporting

confidence: 90%

Section: Lattice Constantssupporting

confidence: 82%

Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation

Aziz,

Essajai,

Benyoussef

et al. 2023

Phys. Scr.

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“…We used the ab-initio calculation method based on DFT and the Akai-KKR (Machikaneyama 2002) code [34] to investigate the effects of magnetic impurity (Co and Fe) doping and co-doping on the behavior of a rutile GeO 2 semiconductor. This method has given results that converge with those experimentally obtained [35][36][37][38][39][40]. Here, the doping elements will replace germanium ions in the crystal structure of the semiconductor.…”

Section: Kkr Code and The Lda And Lda-sic Approximationssupporting

confidence: 58%

Co-, Fe-, Ni-doped and co-doped rutile GeO₂: insights from ab-initio calculations

Essajai¹,

Ez‐Zahraouy²

2022

Commun. Theor. Phys.

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The rutile germanium oxide semiconductor (rutile-GeO2) could act as a half-metallic compound and be promising for spintronic and optoelectronic applications. The calculations have been performed within Korringa-Kohn-Rostoker (KKR) approach combined with the coherent potential approximation (CPA) which are combined with two approximations, the Local Density-Approximation (LDA) then the self-interaction corrected LDA approximation (LDA-SIC) in order to study the electronic structure of bulk rutile-GeO2 doped and co-doped with three transition metals impurities Fe, Co and Ni. The doping value is set to a value of 10% while the co-doping is set to 5% for each impurity. The main findings in this work are: (1) A direct ultrawide bandgap of 4.80 eV is observed and the rutile-GeO2 exhibits N-type semiconducting property. (2) The doped and co-doped GeO2 acquires a magnetic behavior and shows a half-metallicity feature. (3) The mechanism responsible of this property is also studied. (4) The critical temperature can achieve 334 K when doped with Fe while may raises to 398 K when it is co-doped with Fe and Co. (5) The spin polarization can be improved with co-doping. It can be inferred that rutile-GeO2 doped or co-doped with (Co, Fe) transition metals can be considered as a potential candidate for spintronic and optoelectronic applications.

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Monte Carlo Simulations Revealing Ground State Characteristics and Magnetic Hysteresis in Perylene-Like Nanostructure

Fadil,

Haldhar,

Raorane

et al. 2023

J Low Temp Phys

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Electronic, magnetic and magneto-caloric properties in intermetallic compound PrSi

Cited by 10 publications

References 32 publications

Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation

Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation

Co-, Fe-, Ni-doped and co-doped rutile GeO₂: insights from ab-initio calculations

Monte Carlo Simulations Revealing Ground State Characteristics and Magnetic Hysteresis in Perylene-Like Nanostructure

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Electronic, magnetic and magneto-caloric properties in intermetallic compound PrSi

Cited by 10 publications

References 32 publications

Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation

Calculated properties of GdNi intermetallic compound for the nitrogen liquefaction process: insight into ab-initio computations and Monte Carlo simulation

Co-, Fe-, Ni-doped and co-doped rutile GeO2: insights from ab-initio calculations

Monte Carlo Simulations Revealing Ground State Characteristics and Magnetic Hysteresis in Perylene-Like Nanostructure

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Product

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Co-, Fe-, Ni-doped and co-doped rutile GeO₂: insights from ab-initio calculations