TY - JOUR
T1 - Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3
AU - Saeed, Yasir
AU - Singh, Nirpendra
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2012/9
Y1 - 2012/9
N2 - We use density functional theory and the modified Becke-Johnson (mBJ) approach to analyze the electronic and magneto-optical properties of N-doped NaTaO 3. The mBJ results show a half-metallic nature of NaTaO 2N, in contrast to the generalized gradient approximation. We find a giant polar Kerr rotation of 2.16°at 725 nm wave length (visible region), much higher than in other half-metallic perovskites and the prototypical half-metal PtMnSb. We explain the physical origin of this unexpected property. © 2012 Elsevier B.V. All rights reserved.
AB - We use density functional theory and the modified Becke-Johnson (mBJ) approach to analyze the electronic and magneto-optical properties of N-doped NaTaO 3. The mBJ results show a half-metallic nature of NaTaO 2N, in contrast to the generalized gradient approximation. We find a giant polar Kerr rotation of 2.16°at 725 nm wave length (visible region), much higher than in other half-metallic perovskites and the prototypical half-metal PtMnSb. We explain the physical origin of this unexpected property. © 2012 Elsevier B.V. All rights reserved.
UR - http://hdl.handle.net/10754/562303
UR - http://arxiv.org/abs/arXiv:1311.3407v1
UR - http://www.scopus.com/inward/record.url?scp=84865792230&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2012.07.075
DO - 10.1016/j.cplett.2012.07.075
M3 - Article
SN - 0009-2614
VL - 546
SP - 96
EP - 98
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -