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Exploration of the Electronic Properties and Optical Conductivity of LaSb.

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Title: Exploration of the Electronic Properties and Optical Conductivity of LaSb.
Authors: Rashidian, Zeinab1 (AUTHOR), Chittari, Bheema Lingam2 (AUTHOR), Kiani Sadr, Boshra3 (AUTHOR) bkianysadr@gmail.com, Jahanbani, Khadije4 (AUTHOR), Nayak, Maheswar (AUTHOR) mnayak@rrcat.gov.in
Source: Advances in Condensed Matter Physics. 10/22/2025, Vol. 2025, p1-7. 7p.
Subjects: Optical conductivity, Electronic band structure, Spin-orbit interactions, Density functional theory, Electronic materials, Lanthanum compounds, Density of states
Abstract: We report a first‐principles investigation of the electronic structure and optical properties of lanthanum antimonide (LaSb). Band structure and density of states (DOS) calculations, performed with and without spin–orbit coupling (SOC), confirm its metallic nature dominated by La‐d and Sb‐p states. To refine the optical response, we complemented projector‐augmented wave (PAW)–Perdew–Burke–Ernzerhof (PBE) calculations in Quantum ESPRESSO (QE) with full‐potential linearized augmented plane wave (FP‐LAPW) simulations in WIEN2k, explicitly incorporating the plasma frequency and Drude term. The resulting spectra reproduce the experimental optical conductivity and reflectivity more accurately than earlier theory, particularly in the low‐energy region, while maintaining robust agreement at higher energies. These findings establish a more consistent and comprehensive picture of LaSb's electronic and optical behavior compared to previous studies. [ABSTRACT FROM AUTHOR]
Copyright of Advances in Condensed Matter Physics is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Exploration of the Electronic Properties and Optical Conductivity of LaSb.
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  Data: <searchLink fieldCode="AR" term="%22Rashidian%2C+Zeinab%22">Rashidian, Zeinab</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chittari%2C+Bheema+Lingam%22">Chittari, Bheema Lingam</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Kiani+Sadr%2C+Boshra%22">Kiani Sadr, Boshra</searchLink><relatesTo>3</relatesTo> (AUTHOR)<i> bkianysadr@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Jahanbani%2C+Khadije%22">Jahanbani, Khadije</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Nayak%2C+Maheswar%22">Nayak, Maheswar</searchLink> (AUTHOR)<i> mnayak@rrcat.gov.in</i>
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  Data: <searchLink fieldCode="JN" term="%22Advances+in+Condensed+Matter+Physics%22">Advances in Condensed Matter Physics</searchLink>. 10/22/2025, Vol. 2025, p1-7. 7p.
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  Data: <searchLink fieldCode="DE" term="%22Optical+conductivity%22">Optical conductivity</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+band+structure%22">Electronic band structure</searchLink><br /><searchLink fieldCode="DE" term="%22Spin-orbit+interactions%22">Spin-orbit interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+materials%22">Electronic materials</searchLink><br /><searchLink fieldCode="DE" term="%22Lanthanum+compounds%22">Lanthanum compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Density+of+states%22">Density of states</searchLink>
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  Data: We report a first‐principles investigation of the electronic structure and optical properties of lanthanum antimonide (LaSb). Band structure and density of states (DOS) calculations, performed with and without spin–orbit coupling (SOC), confirm its metallic nature dominated by La‐d and Sb‐p states. To refine the optical response, we complemented projector‐augmented wave (PAW)–Perdew–Burke–Ernzerhof (PBE) calculations in Quantum ESPRESSO (QE) with full‐potential linearized augmented plane wave (FP‐LAPW) simulations in WIEN2k, explicitly incorporating the plasma frequency and Drude term. The resulting spectra reproduce the experimental optical conductivity and reflectivity more accurately than earlier theory, particularly in the low‐energy region, while maintaining robust agreement at higher energies. These findings establish a more consistent and comprehensive picture of LaSb's electronic and optical behavior compared to previous studies. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Advances in Condensed Matter Physics is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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        Value: 10.1155/acmp/5515063
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      – Code: eng
        Text: English
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      – SubjectFull: Optical conductivity
        Type: general
      – SubjectFull: Electronic band structure
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      – SubjectFull: Spin-orbit interactions
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      – SubjectFull: Density functional theory
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      – SubjectFull: Electronic materials
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      – SubjectFull: Lanthanum compounds
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      – SubjectFull: Density of states
        Type: general
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      – TitleFull: Exploration of the Electronic Properties and Optical Conductivity of LaSb.
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            NameFull: Rashidian, Zeinab
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              Text: 10/22/2025
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              Y: 2025
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