Diverse edge states of nanoribbons and excitonic insulator states of the monolayer Ta2Ni3Te5
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866912401899651072 |
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| author | Tang, Hong Wei, Jiang Csonka, Gabor I. Ruzsinszky, Adrienn |
| author_facet | Tang, Hong Wei, Jiang Csonka, Gabor I. Ruzsinszky, Adrienn |
| contents | Ta2Ni3Te5, a layered transition metal chalcogenide with quasi-one-dimensional electronic states, exhibits rich topological and correlated phenomena. Using first-principles calculations, we explore Ta2Ni3Te5 nanoribbons, demonstrating tunable electronic and magnetic properties-ranging from metallic to semimetallic and semiconducting (band gaps of 29.7-60.8 meV), and from ferromagnetic to antiferromagnetic-controlled by edge (Ni or Ta), ribbon width, and H/F saturation. Additionally, GW and Bethe-Salpeter equation (BSE) calculations, complemented by metaGGA-based modified BSE, reveal that the Ta2Ni3Te5 monolayer is an excitonic insulator, with an exciton binding energy exceeding its band gap. These diverse properties position Ta2Ni3Te5 nanoribbons and monolayers as promising candidates for nanoelectronics, spintronics, and optoelectronics, motivating further experimental exploration. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2505_22955 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Diverse edge states of nanoribbons and excitonic insulator states of the monolayer Ta2Ni3Te5 Tang, Hong Wei, Jiang Csonka, Gabor I. Ruzsinszky, Adrienn Materials Science Mesoscale and Nanoscale Physics Computational Physics Ta2Ni3Te5, a layered transition metal chalcogenide with quasi-one-dimensional electronic states, exhibits rich topological and correlated phenomena. Using first-principles calculations, we explore Ta2Ni3Te5 nanoribbons, demonstrating tunable electronic and magnetic properties-ranging from metallic to semimetallic and semiconducting (band gaps of 29.7-60.8 meV), and from ferromagnetic to antiferromagnetic-controlled by edge (Ni or Ta), ribbon width, and H/F saturation. Additionally, GW and Bethe-Salpeter equation (BSE) calculations, complemented by metaGGA-based modified BSE, reveal that the Ta2Ni3Te5 monolayer is an excitonic insulator, with an exciton binding energy exceeding its band gap. These diverse properties position Ta2Ni3Te5 nanoribbons and monolayers as promising candidates for nanoelectronics, spintronics, and optoelectronics, motivating further experimental exploration. |
| title | Diverse edge states of nanoribbons and excitonic insulator states of the monolayer Ta2Ni3Te5 |
| topic | Materials Science Mesoscale and Nanoscale Physics Computational Physics |
| url | https://arxiv.org/abs/2505.22955 |