Raman spectrum of layered tilkerodeite (Pd2HgSe3) topological insulator: thepalladium analogue of jacutingaite (Pt2HgSe3)
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00025798%3A_____%2F21%3A00000126" target="_blank" >RIV/00025798:_____/21:00000126 - isvavai.cz</a>
Result on the web
<a href="https://iopscience.iop.org/journal/0953-8984" target="_blank" >https://iopscience.iop.org/journal/0953-8984</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/1361-648X/abc35a" target="_blank" >10.1088/1361-648X/abc35a</a>
Alternative languages
Result language
angličtina
Original language name
Raman spectrum of layered tilkerodeite (Pd2HgSe3) topological insulator: thepalladium analogue of jacutingaite (Pt2HgSe3)
Original language description
The layered mineral tilkerodeite (Pd2HgSe3), the palladium analogue of jacutingaite(Pt2HgSe3), is a promising quantum spin hall insulator for low-power nanospintronics. In thiscontext, a fast and reliable assessment of its structure is key for exploring fundamentalproperties and architecture of new Pd2HgSe3-based devices. Here, we investigate thefirst-order Raman spectrum in high-quality, single-crystal bulk tilkerodeite, and analyze thewavenumber relation to its isostructural jacutingaite analogue. By using polarized Ramanspectroscopy, symmetry analysis, and first-principles calculations, we assigned all theRaman-active phonons in tilkerodeite, unveiling their wavenumbers, atomic displacementpatterns, and symmetries. Our calculations used several exchange–correlation functionalswithin the density functional perturbation theory framework, reproducing both structure andRaman-active phonon wavenumbers in excellent agreement with experiments. Also, it wasfound that the influence of the spin–orbit coupling can be neglected in the study of theseproperties. Finally, we compared the wavenumber and atomic displacement patterns ofcorresponding Raman-active modes in tilkerodeite and jacutingaite, and found that the effect ofthe Pd and Pt masses can be neglected on reasoning their wavenumber differences. From thisanalysis, tilkerodeite is found to be mechanically weaker than jacutingaite against the atomicdisplacement patterns of these modes. Our findings advance the understanding of the structuralproperties of a recently discovered layered topological insulator, fundamental to furtherexploring its electronic, optical, thermal, and mechanical properties, and for device fabrication.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10504 - Mineralogy
Result continuities
Project
<a href="/en/project/GA18-15390S" target="_blank" >GA18-15390S: Experimental and mineralogical study of selected platinum-group chalcogenides and alloys</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physics: Condensed Matter
ISSN
0953-8984
e-ISSN
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Volume of the periodical
33
Issue of the periodical within the volume
6 : 065401
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
nestránkováno
UT code for WoS article
000588211900001
EID of the result in the Scopus database
2-s2.0-85096566195