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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2509.18549 |
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| _version_ | 1866914052048945152 |
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| author | Jang, Jaekyung Seo, Yu-Seong Lee, Jeonghun Mun, Eundeok Hwang, Jungseek |
| author_facet | Jang, Jaekyung Seo, Yu-Seong Lee, Jeonghun Mun, Eundeok Hwang, Jungseek |
| contents | We examined the electronic structures and optical properties of single crystals of RCd3P3 (R = Ce or La). Our first-principles analysis indicates that CeCd3P3 and LaCd3P3 exhibit semiconductor characteristics with narrow energy gaps of approximately 0.51 and 0.70 eV, respectively. Notably, a slight displacement of the Cd and P atoms within the unit cell significantly transforms the electronic structure from insulating to metallic state. Optical spectroscopy of both compounds reveals a metallic state with a low charge carrier density, suggesting a finite density of states at the Fermi level. A comparison between the theoretical electronic structures and experimental optical properties elucidates the observed metallic behavior. Additionally, the notable modification of the infrared-active phonons strongly indicates a structural phase transition in these compounds. Our findings also suggest that CeCd3P3 serves as a suitable platform for investigating the photoinduced Kondo effect due to its metallic ground state with limited charge carriers. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_18549 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Optical properties of RCd3P3 (R: Ce or La) compounds: Insulator-metal transition induced by displacement of atoms in the unit cell Jang, Jaekyung Seo, Yu-Seong Lee, Jeonghun Mun, Eundeok Hwang, Jungseek Materials Science Strongly Correlated Electrons We examined the electronic structures and optical properties of single crystals of RCd3P3 (R = Ce or La). Our first-principles analysis indicates that CeCd3P3 and LaCd3P3 exhibit semiconductor characteristics with narrow energy gaps of approximately 0.51 and 0.70 eV, respectively. Notably, a slight displacement of the Cd and P atoms within the unit cell significantly transforms the electronic structure from insulating to metallic state. Optical spectroscopy of both compounds reveals a metallic state with a low charge carrier density, suggesting a finite density of states at the Fermi level. A comparison between the theoretical electronic structures and experimental optical properties elucidates the observed metallic behavior. Additionally, the notable modification of the infrared-active phonons strongly indicates a structural phase transition in these compounds. Our findings also suggest that CeCd3P3 serves as a suitable platform for investigating the photoinduced Kondo effect due to its metallic ground state with limited charge carriers. |
| title | Optical properties of RCd3P3 (R: Ce or La) compounds: Insulator-metal transition induced by displacement of atoms in the unit cell |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2509.18549 |