2020
DOI: 10.1088/1361-648x/ab7e5a
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Magnetic couplings and magnetocaloric effect in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds

Abstract: We compute the magnetocaloric effect (MCE) in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds as a function of the temperature and the external magnetic field. To this end we use a density functional theory approach to calculate the exchange-coupling interactions between Gd 3+ ions on each compound.We consider a simplified magnetic Hamiltonian and analyze the dependence of the exchange couplings on the transition metal T, the p-block element X, and the crystal structure (CeFeSi-type or CeScSi-type). The most s… Show more

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Cited by 10 publications
(6 citation statements)
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“…Compound-specific results obtained in the context of MCE in the density functional approach are of high value but it can be difficult to derive any qualitative and unbiased conclusions from these investigations 3, [55][56][57] . However, the model-based approach used in the paper, which ignores any specific features of the density of states, captures the fundamentals about metals and allows for a completely general description of the phase separation in a first order magnetic phase transition and how it impacts MCE.…”
Section: Discussionmentioning
confidence: 99%
“…Compound-specific results obtained in the context of MCE in the density functional approach are of high value but it can be difficult to derive any qualitative and unbiased conclusions from these investigations 3, [55][56][57] . However, the model-based approach used in the paper, which ignores any specific features of the density of states, captures the fundamentals about metals and allows for a completely general description of the phase separation in a first order magnetic phase transition and how it impacts MCE.…”
Section: Discussionmentioning
confidence: 99%
“…The phase diagram of Fig. 2 was constructed through classical Monte Carlo numerical simulations of the magnetic Hamiltonian, considering the large J = 7/2 magnetic moments of the Eu +2 ions as classical [19][20][21][22] . It presents four phases which result from the competition between the exchange interactions and the easy-axis anisotropy.…”
Section: Monte Carlo Phase Diagrammentioning
confidence: 99%
“…Ref. 22). The isothermal entropy change for a reversible change in the magnetization can also be obtained integrating a Maxwell relation.…”
Section: Magnetocaloric Effectmentioning
confidence: 99%
“…Some models analyze the MCE using different methods. Recently, the properties of MCE were studied by several theoretical methods, namely, mean-field theory (MFT) [20][21][22][23][24][25][26][27], effective-field theory (EFT) [28][29][30][31][32][33], Monte Carlo (MC) simulation [34][35][36][37][38][39] and first-principles calculations [40][41][42].…”
Section: Introductionmentioning
confidence: 99%