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Article: Unraveling a novel ferroelectric GeSe phase and its transformation into a topological crystalline insulator under high pressure

TitleUnraveling a novel ferroelectric GeSe phase and its transformation into a topological crystalline insulator under high pressure
Authors
Issue Date2018
PublisherNature Publishing Group: Open Access Journals. The Journal's web site is located at http://www.nature.com/am/index.html
Citation
NPG Asia Materials, 2018, v. 10 n. 9, p. 882-887 How to Cite?
AbstractGermanium selenide is a promising material for electronic, photovoltaic, and thermoelectric applications; however, structural phase transitions of GeSe under pressure are controversial. Combining evolutionary algorithms, density functional theory, tight-binding method, and laser-heated diamond anvil cell experiments, pressure-induced phase transitions of GeSe are thoroughly investigated. Two novel intermediate phases are predicted to exist in between the well-known α-GeSe and the recently discovered β-GeSe under high pressure. α-GeSe is found to transform into a rhombohedral crystal structure with a space group of R3m at a low hydrostatic pressure. The R3m phase of GeSe exhibits robust ferroelectricity analogous to GeTe. By further increasing the pressure to approximately 6 GPa, the R3m phase is predicted to transform into a rock-salt structure, becoming a 3D topological crystalline insulator with an inverted band structure. The newly discovered GeSe high-pressure phases greatly enrich our knowledge of IV–VI compounds.
Persistent Identifierhttp://hdl.handle.net/10722/272235
ISSN
2023 Impact Factor: 8.6
2023 SCImago Journal Rankings: 2.136
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorYu, H-
dc.contributor.authorGao, D-
dc.contributor.authorWang, X-
dc.contributor.authorDu, X-
dc.contributor.authorLin, X-
dc.contributor.authorGuo, W-
dc.contributor.authorZou, R-
dc.contributor.authorJin, C-
dc.contributor.authorLi, K-
dc.contributor.authorChen, Y-
dc.date.accessioned2019-07-20T10:38:19Z-
dc.date.available2019-07-20T10:38:19Z-
dc.date.issued2018-
dc.identifier.citationNPG Asia Materials, 2018, v. 10 n. 9, p. 882-887-
dc.identifier.issn1884-4049-
dc.identifier.urihttp://hdl.handle.net/10722/272235-
dc.description.abstractGermanium selenide is a promising material for electronic, photovoltaic, and thermoelectric applications; however, structural phase transitions of GeSe under pressure are controversial. Combining evolutionary algorithms, density functional theory, tight-binding method, and laser-heated diamond anvil cell experiments, pressure-induced phase transitions of GeSe are thoroughly investigated. Two novel intermediate phases are predicted to exist in between the well-known α-GeSe and the recently discovered β-GeSe under high pressure. α-GeSe is found to transform into a rhombohedral crystal structure with a space group of R3m at a low hydrostatic pressure. The R3m phase of GeSe exhibits robust ferroelectricity analogous to GeTe. By further increasing the pressure to approximately 6 GPa, the R3m phase is predicted to transform into a rock-salt structure, becoming a 3D topological crystalline insulator with an inverted band structure. The newly discovered GeSe high-pressure phases greatly enrich our knowledge of IV–VI compounds.-
dc.languageeng-
dc.publisherNature Publishing Group: Open Access Journals. The Journal's web site is located at http://www.nature.com/am/index.html-
dc.relation.ispartofNPG Asia Materials-
dc.rightsThis work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.-
dc.titleUnraveling a novel ferroelectric GeSe phase and its transformation into a topological crystalline insulator under high pressure-
dc.typeArticle-
dc.identifier.emailChen, Y: yuechen@hku.hk-
dc.identifier.authorityChen, Y=rp01925-
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.1038/s41427-018-0081-y-
dc.identifier.scopuseid_2-s2.0-85053443407-
dc.identifier.hkuros298944-
dc.identifier.volume10-
dc.identifier.issue9-
dc.identifier.spage882-
dc.identifier.epage887-
dc.identifier.isiWOS:000447957100001-
dc.publisher.placeJapan-
dc.identifier.issnl1884-4049-

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