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Carbides-anti-perov...
Carbides-anti-perovskites Mn3(Sn, Zn)C : Potential candidates for an application in magnetic refrigeration
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- Benhouria, Y. (författare)
- Univ Moulay Ismail, Fac Sci, Phys Dept, Lab Phys Mat & Modelisat Syst LP2MS, Unite Associe, BP 11201, Meknes, Morocco; Moulay Ismail Univ, Fac Sci & Technol, Elect Instrumentat & Measurements, Errachidia, Morocco
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- Kibbou, M. (författare)
- Univ Moulay Ismail, Fac Sci, Phys Dept, Lab Phys Mat & Modelisat Syst LP2MS, Unite Associe, BP 11201, Meknes, Morocco
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- Khossossi, Nabil (författare)
- Uppsala universitet,Materialteori,Univ Moulay Ismail, Fac Sci, Phys Dept, Lab Phys Mat & Modelisat Syst LP2MS, Unite Associe, BP 11201, Meknes, Morocco
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- Foshi, J. (författare)
- Moulay Ismail Univ, Fac Sci & Technol, Elect Instrumentat & Measurements, Errachidia, Morocco
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- Essaoudi, I. (författare)
- Univ Moulay Ismail, Fac Sci, Phys Dept, Lab Phys Mat & Modelisat Syst LP2MS, Unite Associe, BP 11201, Meknes, Morocco
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- Oubelkacern, A. (författare)
- Univ Moulay Ismail, Fac Sci, Phys Dept, Lab Phys Mat & Modelisat Syst LP2MS, Unite Associe, BP 11201, Meknes, Morocco
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- Ainane, Abdelmajid (författare)
- Uppsala universitet,Materialteori,Univ Moulay Ismail, Fac Sci, Phys Dept, Lab Phys Mat & Modelisat Syst LP2MS, Unite Associe, BP 11201, Meknes, Morocco; Max Planck Inst Phys Complexer Syst, NothnitzerStr 38, D-01187 Dresden, Germany
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- Ahuja, Rajeev, 1965- (författare)
- Uppsala universitet,Materialteori
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(creator_code:org_t)
- Elsevier BV, 2020
- 2020
- Engelska.
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Ingår i: Physica. E, Low-Dimensional systems and nanostructures. - : Elsevier BV. - 1386-9477 .- 1873-1759. ; 124
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- In the present study, the combination of the First-principles density functional theory (DFT) calculations and Monte Carlo (MC) methods are investigated on the structural, magneto-electronic and magneto-caloric properties of the anti-perovskite carbides Mn3XC with X = Sn, Zn. Firstly, the electronic band structure and total/partial density of state of both Mn3SnC and Mn3ZnC are computed and compared to other theoretical and experimental works. Our results reveal that both Mn3SnC and Mn3ZnC structures exhibit a metallic behavior and the valence (VB) and conduction (CB) bands overlap considerably. Additionally, the magnetic and magneto-caloric properties including heat capacity (C), the entropy change (ΔS), adiabatic temperature (ΔT) and the refrigerant capacity (RC) were studied under the magnetic field ranging between 0 and 5 T for both anti-perovskites. Our findings suggest that both anti-perovskite carbide (Mn3SnC and Mn3ZnC) can act as an effective substrate for magnetic refrigeration.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- Ternary carbides
- Monte Carlo
- First principle calculations
- Anti-perovskite
- Magneto-caloric effect
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Benhouria, Y.
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Kibbou, M.
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Khossossi, Nabil
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Foshi, J.
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Essaoudi, I.
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Oubelkacern, A.
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visa fler...
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Ainane, Abdelmaj ...
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Ahuja, Rajeev, 1 ...
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Physica. E, Low- ...
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Uppsala universitet