Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study

Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study

Antiferromagnetic NiO is a candidate for next generation high-speed and scaled RRAM devices. Here, electronic and optical properties of antiferromagnetic NiO: Fe 25% in the rock salt structure are studied and compared to intrinsic NiO. From density of states and complex dielectric function analysis,...

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Main Authors: John E. Petersen, Fidele Twagirayezu, Luisa M. Scolfaro, Pablo D. Borges, Wilhelmus J. Geerts
Format: Article
Language:English
Published: AIP Publishing LLC 2017-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4975493
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spelling doaj-352455bcdbf2460d9a8f1e4e4fbdf02c2020-11-25T02:44:56ZengAIP Publishing LLCAIP Advances2158-32262017-05-0175055711055711-510.1063/1.4975493193791ADVElectronic and optical properties of antiferromagnetic iron doped NiO – A first principles studyJohn E. Petersen0Fidele Twagirayezu1Luisa M. Scolfaro2Pablo D. Borges3Wilhelmus J. Geerts4Department of Physics, Texas State University, San Marcos, Texas 78666, USADepartment of Physics, Texas State University, San Marcos, Texas 78666, USADepartment of Physics, Texas State University, San Marcos, Texas 78666, USAInstituto de Ciências Exatas e Tecnologia, Universidade Federal de Viçosa, 38810-000 Rio Paranaíba, MG, BrazilDepartment of Physics, Texas State University, San Marcos, Texas 78666, USAAntiferromagnetic NiO is a candidate for next generation high-speed and scaled RRAM devices. Here, electronic and optical properties of antiferromagnetic NiO: Fe 25% in the rock salt structure are studied and compared to intrinsic NiO. From density of states and complex dielectric function analysis, the first optical transition is found to be at lower frequency than intrinsic NiO due to an Fe impurity level being the valence band maximum. The resulting effects on refractive index, reflectivity, absorption, optical conductivity and loss function for Fe-doped NiO are compared to those of intrinsic NiO, and notable differences are analyzed. The electronic component of the static dielectric constant of NiO: Fe 25% is calculated to be about 2% less than that of intrinsic NiO.http://dx.doi.org/10.1063/1.4975493
collection DOAJ
language English
format Article
sources DOAJ
author John E. Petersen
Fidele Twagirayezu
Luisa M. Scolfaro
Pablo D. Borges
Wilhelmus J. Geerts
spellingShingle John E. Petersen
Fidele Twagirayezu
Luisa M. Scolfaro
Pablo D. Borges
Wilhelmus J. Geerts
Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
AIP Advances
author_facet John E. Petersen
Fidele Twagirayezu
Luisa M. Scolfaro
Pablo D. Borges
Wilhelmus J. Geerts
author_sort John E. Petersen
title Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
title_short Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
title_full Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
title_fullStr Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
title_full_unstemmed Electronic and optical properties of antiferromagnetic iron doped NiO – A first principles study
title_sort electronic and optical properties of antiferromagnetic iron doped nio – a first principles study
publisher AIP Publishing LLC
series AIP Advances
issn 2158-3226
publishDate 2017-05-01
description Antiferromagnetic NiO is a candidate for next generation high-speed and scaled RRAM devices. Here, electronic and optical properties of antiferromagnetic NiO: Fe 25% in the rock salt structure are studied and compared to intrinsic NiO. From density of states and complex dielectric function analysis, the first optical transition is found to be at lower frequency than intrinsic NiO due to an Fe impurity level being the valence band maximum. The resulting effects on refractive index, reflectivity, absorption, optical conductivity and loss function for Fe-doped NiO are compared to those of intrinsic NiO, and notable differences are analyzed. The electronic component of the static dielectric constant of NiO: Fe 25% is calculated to be about 2% less than that of intrinsic NiO.
url http://dx.doi.org/10.1063/1.4975493
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AT pablodborges electronicandopticalpropertiesofantiferromagneticirondopednioafirstprinciplesstudy
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