Unveiling the orbital-selective electronic band reconstruction through the structural phase transition in TaTe$_2$
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arXiv
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| Autori principali: | , , , , , , , , , , |
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| Natura: | Preprint |
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2023
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| _version_ | 1866910325045985280 |
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| author | Mitsuishi, Natsuki Sugita, Yusuke Akiba, Tomoki Takahashi, Yuki Sakano, Masato Horiba, Koji Kumigashira, Hiroshi Takahashi, Hidefumi Ishiwata, Shintaro Motome, Yukitoshi Ishizaka, Kyoko |
| author_facet | Mitsuishi, Natsuki Sugita, Yusuke Akiba, Tomoki Takahashi, Yuki Sakano, Masato Horiba, Koji Kumigashira, Hiroshi Takahashi, Hidefumi Ishiwata, Shintaro Motome, Yukitoshi Ishizaka, Kyoko |
| contents | Tantalum ditelluride TaTe$_2$ belongs to the family of layered transition metal dichalcogenides but exhibits a unique structural phase transition at around 170 K that accompanies the rearrangement of the Ta atomic network from a "ribbon chain" to a "butterfly-like" pattern. While multiple mechanisms including Fermi surface nesting and chemical bonding instabilities have been intensively discussed, the origin of this transition remains elusive. Here we investigate the electronic structure of single-crystalline TaTe$_2$ with a particular focus on its modifications through the phase transition, by employing core-level and angle-resolved photoemission spectroscopy combined with first-principles calculations. Temperature-dependent core-level spectroscopy demonstrates a splitting of the Ta $4f$ core-level spectra through the phase transition indicative of the Ta-dominated electronic state reconstruction. Low-energy electronic state measurements further reveal an unusual kink-like band reconstruction occurring at the Brillouin zone boundary, which cannot be explained by Fermi surface nesting or band folding effects. On the basis of the orbital-projected band calculations, this band reconstruction is mainly attributed to the modifications of specific Ta $5d$ states, namely the $d_{XY}$ orbitals (the ones elongating along the ribbon chains) at the center Ta sites of the ribbon chains. The present results highlight the strong orbital-dependent electronic state reconstruction through the phase transition in this system and provide fundamental insights towards understanding complex electron-lattice-bond coupled phenomena. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2306_15627 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Unveiling the orbital-selective electronic band reconstruction through the structural phase transition in TaTe$_2$ Mitsuishi, Natsuki Sugita, Yusuke Akiba, Tomoki Takahashi, Yuki Sakano, Masato Horiba, Koji Kumigashira, Hiroshi Takahashi, Hidefumi Ishiwata, Shintaro Motome, Yukitoshi Ishizaka, Kyoko Strongly Correlated Electrons Materials Science Tantalum ditelluride TaTe$_2$ belongs to the family of layered transition metal dichalcogenides but exhibits a unique structural phase transition at around 170 K that accompanies the rearrangement of the Ta atomic network from a "ribbon chain" to a "butterfly-like" pattern. While multiple mechanisms including Fermi surface nesting and chemical bonding instabilities have been intensively discussed, the origin of this transition remains elusive. Here we investigate the electronic structure of single-crystalline TaTe$_2$ with a particular focus on its modifications through the phase transition, by employing core-level and angle-resolved photoemission spectroscopy combined with first-principles calculations. Temperature-dependent core-level spectroscopy demonstrates a splitting of the Ta $4f$ core-level spectra through the phase transition indicative of the Ta-dominated electronic state reconstruction. Low-energy electronic state measurements further reveal an unusual kink-like band reconstruction occurring at the Brillouin zone boundary, which cannot be explained by Fermi surface nesting or band folding effects. On the basis of the orbital-projected band calculations, this band reconstruction is mainly attributed to the modifications of specific Ta $5d$ states, namely the $d_{XY}$ orbitals (the ones elongating along the ribbon chains) at the center Ta sites of the ribbon chains. The present results highlight the strong orbital-dependent electronic state reconstruction through the phase transition in this system and provide fundamental insights towards understanding complex electron-lattice-bond coupled phenomena. |
| title | Unveiling the orbital-selective electronic band reconstruction through the structural phase transition in TaTe$_2$ |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2306.15627 |