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| VOLUME 113 (2021) | ISSUE 2 | PAGE 131 |
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Induction of room temperature ferromagnetism in N-doped yttrium oxide: a first-principle calculation
Y. E. Xu+, J. H. Chu*
+Department of Electronic Engineering, Shanghai Jian Qiao University, 201306 Shanghai, China *Department of Opto-Electronic Technology, Shanghai University, 2004444 Shanghai, China
Abstract
To explore the diluted magnetic semiconductors for spintronic applications we have studied N doped Y2O3 employing density functional theory (DFT). It has been observed that the non-magnetic pristine Y2O3 attains 1.0 μB magnetic moment for each defect for single N impurity and the induced ferromagnetic coupling range is sufficient to withstand room temperature ferromagnetism as estimated Curie temperature is 791 K. The partial density of states reveals that it is the N-2p orbital along with nearest Y-4d orbital which mainly contributes to induced magnetism. Moreover, the computed relative formation energy indicates that O substitute defect is synthetically more appreciative and dominant over interstitial defect. The charged defect analysis also predicts that the system remains ferromagnetic even with most probable charge defect state. All these supporting outcomes stipulate that N doped Y2O3 could be customised as a diluted magnetic semiconductor which could be fruitfully applied as a spintronic device. |