Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds

Yu V. Knyazev; A. V. Lukoyanov; Yu I. Kuz'Min; Sachin Gupta; K. G. Suresh

doi:10.1016/j.physb.2016.02.005

Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds

Yu V. Knyazev, A. V. Lukoyanov, Yu I. Kuz'Min, Sachin Gupta, K. G. Suresh

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

We report a joint experimental and theoretical investigation of optical properties and electronic structure of NdCuSi and GdCuSi compounds. Optical characteristics have been studied employing ellipsometry in a spectral range 0.22-15 μm. Spin-polarized calculations of the electronic structure have been performed using LSDA+U method accounting for electronic correlations in the 4f shell of rare earth elements. Additionally, we probe our electronic structures by calculating the interband optical conductivities and comparing them with spectral measurement. We find that all main features of the experimental curves have been qualitative interpreted using the calculated densities of states.

Original language	English
Pages (from-to)	85-89
Number of pages	5
Journal	Physica B: Condensed Matter
Volume	487
DOIs	https://doi.org/10.1016/j.physb.2016.02.005
Publication status	Published - 2016 Apr 15

Keywords

Electronic band structure
Optical properties
Optical spectroscopy
Rare earth alloys and compounds

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Electrical and Electronic Engineering

Access to Document

10.1016/j.physb.2016.02.005

Fingerprint Dive into the research topics of 'Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds'. Together they form a unique fingerprint.

Cite this

@article{0fa2ad879d83459785921ebe7fe1a216,

title = "Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds",

abstract = "We report a joint experimental and theoretical investigation of optical properties and electronic structure of NdCuSi and GdCuSi compounds. Optical characteristics have been studied employing ellipsometry in a spectral range 0.22-15 μm. Spin-polarized calculations of the electronic structure have been performed using LSDA+U method accounting for electronic correlations in the 4f shell of rare earth elements. Additionally, we probe our electronic structures by calculating the interband optical conductivities and comparing them with spectral measurement. We find that all main features of the experimental curves have been qualitative interpreted using the calculated densities of states.",

keywords = "Electronic band structure, Optical properties, Optical spectroscopy, Rare earth alloys and compounds",

author = "Knyazev, {Yu V.} and Lukoyanov, {A. V.} and Kuz'Min, {Yu I.} and Sachin Gupta and Suresh, {K. G.}",

note = "Funding Information: The authors are grateful to the Russian Foundation for Basic Research (Project no. 15-52-45009 ) and Indo-Russian collaborative Project no. INT/RUS/RFBR/P-216 , as well as the Government of the Russian Federation , Act 211 contract No. 02.A03.21.0006 for the financial support. Publisher Copyright: {\textcopyright} 2016 Elsevier B.V. All rights reserved.",

year = "2016",

month = apr,

day = "15",

doi = "10.1016/j.physb.2016.02.005",

language = "English",

volume = "487",

pages = "85--89",

journal = "Physica B: Condensed Matter",

issn = "0921-4526",

publisher = "Elsevier",

}

TY - JOUR

T1 - Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds

AU - Knyazev, Yu V.

AU - Lukoyanov, A. V.

AU - Kuz'Min, Yu I.

AU - Gupta, Sachin

AU - Suresh, K. G.

N1 - Funding Information: The authors are grateful to the Russian Foundation for Basic Research (Project no. 15-52-45009 ) and Indo-Russian collaborative Project no. INT/RUS/RFBR/P-216 , as well as the Government of the Russian Federation , Act 211 contract No. 02.A03.21.0006 for the financial support. Publisher Copyright: © 2016 Elsevier B.V. All rights reserved.

PY - 2016/4/15

Y1 - 2016/4/15

N2 - We report a joint experimental and theoretical investigation of optical properties and electronic structure of NdCuSi and GdCuSi compounds. Optical characteristics have been studied employing ellipsometry in a spectral range 0.22-15 μm. Spin-polarized calculations of the electronic structure have been performed using LSDA+U method accounting for electronic correlations in the 4f shell of rare earth elements. Additionally, we probe our electronic structures by calculating the interband optical conductivities and comparing them with spectral measurement. We find that all main features of the experimental curves have been qualitative interpreted using the calculated densities of states.

AB - We report a joint experimental and theoretical investigation of optical properties and electronic structure of NdCuSi and GdCuSi compounds. Optical characteristics have been studied employing ellipsometry in a spectral range 0.22-15 μm. Spin-polarized calculations of the electronic structure have been performed using LSDA+U method accounting for electronic correlations in the 4f shell of rare earth elements. Additionally, we probe our electronic structures by calculating the interband optical conductivities and comparing them with spectral measurement. We find that all main features of the experimental curves have been qualitative interpreted using the calculated densities of states.

KW - Electronic band structure

KW - Optical properties

KW - Optical spectroscopy

KW - Rare earth alloys and compounds

UR - http://www.scopus.com/inward/record.url?scp=84958191051&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84958191051&partnerID=8YFLogxK

U2 - 10.1016/j.physb.2016.02.005

DO - 10.1016/j.physb.2016.02.005

M3 - Article

AN - SCOPUS:84958191051

VL - 487

SP - 85

EP - 89

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

SN - 0921-4526

ER -

Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Cite this