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| Natura: | Preprint |
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2024
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| Accesso online: | https://arxiv.org/abs/2407.17136 |
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| author | Linnemann, Carl Jonas Ehrenreich-Petersen, Emma Ceresoli, Davide Fedotenko, Timofey Kantor, Innokenty Jørgensen, Mads Ry Vogel Bremholm, Martin |
| author_facet | Linnemann, Carl Jonas Ehrenreich-Petersen, Emma Ceresoli, Davide Fedotenko, Timofey Kantor, Innokenty Jørgensen, Mads Ry Vogel Bremholm, Martin |
| contents | In this study, high pressure synchrotron powder X-ray diffraction is used to investigate the compression of two high pressure polymorphs of \ce{CrSb2}. The first is the \ce{CuAl2}-type polymorph with an eight-fold coordinated Cr, which can be quenched to ambient conditions from high-pressure high-temperature conditions. The second is the recently discovered \ce{MoP2}-type polymorph, which is induced by compression at room temperature, with a seven-fold coordinated Cr. Here, the assigned structure is unambiguously confirmed by solving it from single-crystal X-ray diffraction. Furthermore, the electrical properties of the \ce{MoP2}-type polymorph were investigated theoretically and the resistance calculations under pressure were accompanied by resistance measurements under high pressure on a single crystal of \ce{CrSb2}. The calculated electronic band structure for the \ce{MoP2}-type phase is discussed and we show that the polymorph is semimetallic and possesses type-I Weyl points. No further phase transitions were observed for the \ce{CuAl2}-type structure up to 50 GPa and 40 GPa for the \ce{MoP2}-type structure. Even though the \ce{CuAl2}-phase has the highest coordination number of Cr, it was found to be less compressible than the \ce{MoP2}-phase having a seven-fold coordinated Cr, which was attributed to the longer Cr-Sb distance in the \ce{CuAl2}-type phase. The discovery of a type-I Weyl semimetallic phase in \ce{CrSb2} opens up for discovering other Weyl semimetals in the transition metal di-pnictides under high pressure. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_17136 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Weyl Semimetallic Phase in High Pressure CrSb$_2$ and Structural Compression Studies of its High Pressure Polymorphs Linnemann, Carl Jonas Ehrenreich-Petersen, Emma Ceresoli, Davide Fedotenko, Timofey Kantor, Innokenty Jørgensen, Mads Ry Vogel Bremholm, Martin Materials Science In this study, high pressure synchrotron powder X-ray diffraction is used to investigate the compression of two high pressure polymorphs of \ce{CrSb2}. The first is the \ce{CuAl2}-type polymorph with an eight-fold coordinated Cr, which can be quenched to ambient conditions from high-pressure high-temperature conditions. The second is the recently discovered \ce{MoP2}-type polymorph, which is induced by compression at room temperature, with a seven-fold coordinated Cr. Here, the assigned structure is unambiguously confirmed by solving it from single-crystal X-ray diffraction. Furthermore, the electrical properties of the \ce{MoP2}-type polymorph were investigated theoretically and the resistance calculations under pressure were accompanied by resistance measurements under high pressure on a single crystal of \ce{CrSb2}. The calculated electronic band structure for the \ce{MoP2}-type phase is discussed and we show that the polymorph is semimetallic and possesses type-I Weyl points. No further phase transitions were observed for the \ce{CuAl2}-type structure up to 50 GPa and 40 GPa for the \ce{MoP2}-type structure. Even though the \ce{CuAl2}-phase has the highest coordination number of Cr, it was found to be less compressible than the \ce{MoP2}-phase having a seven-fold coordinated Cr, which was attributed to the longer Cr-Sb distance in the \ce{CuAl2}-type phase. The discovery of a type-I Weyl semimetallic phase in \ce{CrSb2} opens up for discovering other Weyl semimetals in the transition metal di-pnictides under high pressure. |
| title | Weyl Semimetallic Phase in High Pressure CrSb$_2$ and Structural Compression Studies of its High Pressure Polymorphs |
| topic | Materials Science |
| url | https://arxiv.org/abs/2407.17136 |