Effect of chromium substitution on structural, magnetic and magnetocaloric properties of GdFe12?Cr intermetallic compounds, Mössbauer spectrometry and ab initio calculations

The single-phase intermetallic compounds GdFe12?xCrx (x ?= ?2, 2.5 and 3), elaborated by arc-melting method annealed at 1073 ?K, crystallize in the ThMn12-type structure with I4/mmm space group. structural, magnetic magnetocaloric properties of these were studied extensively means X-ray powder diffraction (XRD), Mössbauer spectrometry measurements. Rietveld analysis patterns reveals that lattice parameters 3) increase linearly increasing Cr content up to x ?3, proves atom prefers 8i sites ThMn12 Fe occupies 8i, 8f 8j. spectra study based on Wigner-Seitz cell volumes correlation isomer shift parameter each specific site 8j, confirms preferred inequivalent crystallographic atoms. Ab initio calculations performed using density functional theory (DFT) full potential linearized augmented plane wave (FLAPW). calculated data are good agreement results measurements as well spectrometry. variation magnetization (M) vs. temperature (T) all exhibit a second-order ferromagnetic paramagnetic phase transition vicinity Curie (TC). substitution yields enhancement ordering temperature. maximum entropy change (?SM) was estimated from isothermal curves it increases 1.82 ?J/kg.K for 2.95 under field 1.5 ?T. relative cooling power (RCP) is range 12.5 ?J/kg ?2 30.4 ?3. Our suggest such substituted could be considered candidate refrigeration technology.