Ground state electronic and magnetic properties of RCrSb3 (R=La, Ce, Nd, Gd and Dy): A first principles study |
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| Authors: | MP Ghimire Sandeep RK Thapa |
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| Institution: | a Faculty of Science, Nepal Academy of Science and Technology, G.P.O.-3323, Kathmandu, Nepalb Condensed Matter Physics Research Center, Butwal, Rupandehi, Nepalc Department of Physics, Mizoram University, Tanhril, Aizawl-796009, Mizoram, Indiad Department of Physics, Bose Institute, 93/1, A.P.C. Road, Kolkata-700 009, India |
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| Abstract: | The electronic density of states (DOS) and magnetic moments of rare-earth antimonides (RCrSb3) have been studied by the first principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). For the exchange-correlation potential, the LSDA+U method is used. The effective moments of LaCrSb3, CeCrSb3, NdCrSb3, GdCrSb3, and DyCrSb3 were found to be  ,  ,  ,  and  respectively. The exchange-splittings of Cr-3d state electrons and 4f-states of rare earth elements were analyzed to explain the magnetic nature of these systems. The Cr atom plays a significant role on the magnetic properties due to the hybridization between Cr-3d and Sb-5p state orbitals. The results obtained are compared and found to be in close agreement with the available data. |
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| Keywords: | A Rare-earth antimonides C DFT D DOS Magnetic moment D Ferromagnetic |
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