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

1 Citation (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

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Knyazev, Y. V., Lukoyanov, A. V., Kuz'Min, Y. I., Gupta, S., & Suresh, K. G. (2016). Electronic structure and spectral properties of RCuSi (R=Nd,Gd) compounds. Physica B: Condensed Matter, 487, 85-89. https://doi.org/10.1016/j.physb.2016.02.005

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AU - Lukoyanov, A. V.

AU - Kuz'Min, Yu I.

AU - Gupta, Sachin

AU - Suresh, K. G.

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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.

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