| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Pressure-Driven Energy Band Gap Narrowing of $\lambda$-N$_{{2}}$ |
| Yue Li1, Jingyi Liu1, Binbin Wu1, Yu Tao1, Yanlei Geng2, Xiaoli Wang2*, and Li Lei1* |
1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
2School of Physics and Electronic Information, Yantai University, Yantai 264005, China
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Yue Li, Jingyi Liu, Binbin Wu et al 2024 Chin. Phys. Lett. 41 047803 |
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Abstract Probing the energy band gap of solid nitrogen at high pressures is of importance for understanding pressure-driven changes in electronic structures and insulator-to-metal transitions under high pressure. The $\lambda $-N$_{2}$ formed by cold compression is known to be the most stable one in all solid nitrogen phases observed so far. By optimizing the optical system, we successfully measured the high-pressure absorption spectra of $\lambda $-N$_{2}$ covering the polymeric-nitrogen synthetic pressures (124 GPa–165 GPa). The measured optical band gap decreases with increasing pressure, from 2.23 eV at 124 GPa to 1.55 eV at 165 GPa, with a negative pressure coefficient of $-18.4$ meV/GPa, which is consistent with the result from our ab initio total-energy calculations ($-22.6 $ meV/GPa). The extrapolative metallization pressure for the $\lambda $-N$_{2}$ is around 288(18) GPa, which is close to the metallization pressure (280 GPa) for the $\eta $-N$_{2}$ expected by previous absorption edge and direct electrical measurements. Our results provide a direct spectroscopic evidence for the pressure-driven band gap narrowing of solid nitrogen.
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Received: 22 January 2024
Editors' Suggestion
Published: 22 April 2024
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| PACS: |
78.40.-q
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(Absorption and reflection spectra: visible and ultraviolet)
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07.35.+k
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(High-pressure apparatus; shock tubes; diamond anvil cells)
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78.30.-j
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(Infrared and Raman spectra)
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71.30.+h
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(Metal-insulator transitions and other electronic transitions)
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