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- Publisher Website: 10.1103/PhysRevB.106.024515
- Scopus: eid_2-s2.0-85135717648
- WOS: WOS:000834342200005
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Article: Doping effects on the stability and superconductivity of penta-graphene-like ZrH10 and HfH10 under pressure
Title | Doping effects on the stability and superconductivity of penta-graphene-like ZrH10 and HfH10 under pressure |
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Authors | |
Issue Date | 1-Jul-2022 |
Publisher | American Physical Society |
Citation | Physical Review B, 2022, v. 106, n. 2 How to Cite? |
Abstract | The discovery of room-temperature superconductors has aroused great attention in pressure-induced superhydrides. Herein we explore the doping effects on the newly proposed penta-graphene-like hydrides ZrH10 and HfH10 from first-principles calculations. Imaginary phonon frequencies of P63/mmc ZrH10 and HfH10 at lower pressures are found to be eliminated by hole doping, leading to more accessible superconductivity. At high pressures, phonons are prone to be softened by electron doping, which increases the electron-phonon coupling and the superconducting critical temperature (Tc). Doping is found to be an effective way to lower the stabilization pressure and increase the Tc of P63/mmc ZrH10 and HfH10. This work paves an avenue for realizing low-pressure high-Tc superconducting hydrides. |
Persistent Identifier | http://hdl.handle.net/10722/331814 |
ISSN | 2023 Impact Factor: 3.2 2023 SCImago Journal Rankings: 1.345 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Yu, HL | - |
dc.contributor.author | Chen, Y | - |
dc.date.accessioned | 2023-09-21T06:59:09Z | - |
dc.date.available | 2023-09-21T06:59:09Z | - |
dc.date.issued | 2022-07-01 | - |
dc.identifier.citation | Physical Review B, 2022, v. 106, n. 2 | - |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.uri | http://hdl.handle.net/10722/331814 | - |
dc.description.abstract | The discovery of room-temperature superconductors has aroused great attention in pressure-induced superhydrides. Herein we explore the doping effects on the newly proposed penta-graphene-like hydrides ZrH10 and HfH10 from first-principles calculations. Imaginary phonon frequencies of P63/mmc ZrH10 and HfH10 at lower pressures are found to be eliminated by hole doping, leading to more accessible superconductivity. At high pressures, phonons are prone to be softened by electron doping, which increases the electron-phonon coupling and the superconducting critical temperature (Tc). Doping is found to be an effective way to lower the stabilization pressure and increase the Tc of P63/mmc ZrH10 and HfH10. This work paves an avenue for realizing low-pressure high-Tc superconducting hydrides. | - |
dc.language | eng | - |
dc.publisher | American Physical Society | - |
dc.relation.ispartof | Physical Review B | - |
dc.title | Doping effects on the stability and superconductivity of penta-graphene-like ZrH10 and HfH10 under pressure | - |
dc.type | Article | - |
dc.identifier.doi | 10.1103/PhysRevB.106.024515 | - |
dc.identifier.scopus | eid_2-s2.0-85135717648 | - |
dc.identifier.volume | 106 | - |
dc.identifier.issue | 2 | - |
dc.identifier.eissn | 2469-9969 | - |
dc.identifier.isi | WOS:000834342200005 | - |
dc.publisher.place | COLLEGE PK | - |
dc.identifier.issnl | 2469-9950 | - |