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Magnetic couplings and magnetocaloric effect in the GdTX (T=Sc, Ti, Co, Fe; X=Si, Ge) compounds | | Daniel J. García
; Verónica Vildosola
; Pablo S. Cornaglia
; | | Date: |
10 Dec 2019 | | 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 significant effects
are observed for the replacements Ti $ o$ Sc or Fe $ o$ Co which have an
associated change in the parity of the electron number in the 3d level. These
replacements lead to an antiferromagnetic contribution to the magnetic
couplings that reduces the Curie temperature and can even lead to an
antiferromagnetic ground state. We solve the magnetic models through mean field
and Monte Carlo calculations and find large variations among compounds in the
magnetic transition temperature and in the magnetocaloric effect, in agreement
with the available experimental data. The magnetocaloric effect shows a
universal behavior as a function of temperature and magnetic field in the
ferromagnetic compounds after a scaling of the relevant energy scales by the
Curie temperature $T_C$. | | Source: | arXiv, 1912.4990 | | Services: | Forum | Review | PDF | Favorites | |
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