Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3

Yasir Saeed; Nirpendra Singh; Udo Schwingenschlögl

doi:10.1016/j.cplett.2012.07.075

Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3

Yasir Saeed, Nirpendra Singh, Udo Schwingenschlögl

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Abstract

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.

Original language	English (US)
Pages (from-to)	96-98
Number of pages	3
Journal	Chemical Physics Letters
Volume	546
DOIs	https://doi.org/10.1016/j.cplett.2012.07.075
State	Published - Sep 2012

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KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2012.07.075

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title = "Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3",

abstract = "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. {\textcopyright} 2012 Elsevier B.V. All rights reserved.",

author = "Yasir Saeed and Nirpendra Singh and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01",

year = "2012",

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doi = "10.1016/j.cplett.2012.07.075",

language = "English (US)",

volume = "546",

pages = "96--98",

journal = "Chemical Physics Letters",

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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 -

Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3

Abstract

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