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. |
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| 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] |
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| Database: | Engineering Source |
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| 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] |
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| ISSN: | 16878108 |
| DOI: | 10.1155/acmp/5515063 |
