Show simple item record
dc.contributor.author |
Bandiello, E
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cze |
dc.contributor.author |
Gallego-Parra, S
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cze |
dc.contributor.author |
Liang, A
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cze |
dc.contributor.author |
Sans, J. A
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cze |
dc.contributor.author |
Cuenca-Gotor, V
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cze |
dc.contributor.author |
da Silva, E. Lora
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cze |
dc.contributor.author |
Vilaplana, R
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cze |
dc.contributor.author |
Rodriguez-Hernandez, P
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cze |
dc.contributor.author |
Munoz, A
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cze |
dc.contributor.author |
Diaz-Anichtchenko, D
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cze |
dc.contributor.author |
Popescu, C
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cze |
dc.contributor.author |
Alabarse, F. G
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cze |
dc.contributor.author |
Rudamas, C
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cze |
dc.contributor.author |
Drašar, Čestmír
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cze |
dc.contributor.author |
Segura, A
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cze |
dc.contributor.author |
Errandonea, D
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cze |
dc.contributor.author |
Manjon, F. J
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cze |
dc.date.accessioned |
2024-08-25T15:18:06Z |
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dc.date.available |
2024-08-25T15:18:06Z |
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dc.date.issued |
2023 |
eng |
dc.identifier.issn |
2590-0498 |
eng |
dc.identifier.uri |
https://hdl.handle.net/10195/83932 |
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dc.description.abstract |
GaGeTe is a layered topological semimetal that has been recently found to exist in at least two different polytypes, a-GaGeTe (R3m) and b-GaGeTe (P63mc). Here we report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of these two polytypes in high-pressure conditions. Both polytypes show anisotropic compressibility and two phase transitions, above 7 and 15 GPa, respectively, as confirmed by XRD and Raman spectroscopy measurements. Although the nature of the high-pressure phases could not be confirmed, comparison with other chalcogenides and total -energy calculations allow us to propose possible high-pressure phases for both polytypes with an in-crease in coordination for Ga and Ge atoms from 4 to 6. In particular, the simplification of the X-ray pattern for both polytypes above 15 GPa suggests a transition to a structure of relatively higher symmetry than the original one. This result is consistent with the rocksalt-like high-pressure phases observed in parent III-VI semiconductors, such as GaTe, GaSe, and InSe. Pressure-induced amorphization is observed upon pressure release. The electronic band structures of a-GaGeTe and b-GaGeTe and their pressure dependence also show similarities to III-VI semiconductors, thus suggesting that the germanene-like sublayer induces a semimetallic character in both GaGeTe polytypes. Above 3 GPa, both polytypes lose their topological features, due to the opening of the direct band gap, while the reduction of the interlayer space increases the thermal conductivity at high pressure. & COPY; 2023 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). |
eng |
dc.format |
p. 100403 |
eng |
dc.language.iso |
eng |
eng |
dc.publisher |
Elsevier Science BV |
eng |
dc.relation.ispartof |
Materials Today Advances, volume 19, issue: August |
eng |
dc.rights |
Práce není přístupná |
eng |
dc.subject |
raman-scattering |
eng |
dc.subject |
phase-transition |
eng |
dc.subject |
high-pressure |
eng |
dc.subject |
semiconductors |
eng |
dc.subject |
selenide |
eng |
dc.subject |
ge |
eng |
dc.subject |
ramanový rozptyl |
cze |
dc.subject |
fázový přechod |
cze |
dc.subject |
vysokotlaký |
cze |
dc.subject |
polovodiče |
cze |
dc.subject |
selenid |
cze |
dc.subject |
ge |
cze |
dc.title |
Structural, vibrational, and electronic behavior of two GaGeTe polytypes under compression |
eng |
dc.title.alternative |
Strukturální, vibrační a elektronické chování dvou polytypů GaGeTe při kompresi |
cze |
dc.type |
article |
eng |
dc.description.abstract-translated |
GaGeTe je vrstvený topologický semimetal, který byl nedávno nalezen nejméně ve dvou různých polytypech, a-GaGeTe (R3m) a b-GaGeTe (P63mc). Zde podáváme zprávu o společné experimentální a teoretické studii konstrukčních, vibračních a elektronických vlastností těchto dvou polytypů ve vysokotlakých podmínkách. Oba polytypy vykazují anizotropní komprimovatelnost a dva fázové přechody nad 7, respektive 15 GPa, což potvrzuje měření XRD a Rámanské spektroskopie. I když charakter vysokotlakých fází nemohl být potvrzen, srovnání s jinými chalkogenidy a výpočty celkové -energie nám umožňuje navrhnout možné vysokotlaké fáze pro oba polytypy s in-creázou v |
cze |
dc.peerreviewed |
yes |
eng |
dc.publicationstatus |
postprint |
eng |
dc.identifier.doi |
10.1016/j.mtadv.2023.100403 |
eng |
dc.relation.publisherversion |
https://www.sciencedirect.com/science/article/pii/S2590049823000632?via%3Dihub |
eng |
dc.identifier.wos |
001046886600001 |
eng |
dc.identifier.scopus |
2-s2.0-85164659721 |
eng |
dc.identifier.obd |
39889267 |
eng |
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