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dc.contributor.author
Grahlow, Fabian
dc.contributor.author
Dorsch, Eric
dc.contributor.author
Ströbele, Markus
dc.contributor.author
Romao, Carl Peter
dc.contributor.author
Meyer, Hans-Jürgen
dc.date.accessioned
2022-05-04T15:07:49Z
dc.date.available
2021-12-18T05:33:14Z
dc.date.available
2022-05-04T15:07:49Z
dc.date.issued
2021-12-06
dc.identifier.issn
0020-1669
dc.identifier.issn
1520-510X
dc.identifier.other
10.1021/acs.inorgchem.1c02263
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/521363
dc.description.abstract
The synthesis of Nb4S3, a previously undiscovered binary sulfide, was achieved using Nb3Br7S as a precursor. Its structure is composed of Nb6S triangular prisms arranged in a polar (Imm2) configuration, with sulfur atoms lying in channels along the a axis. Electrical resistivity measurements and density functional theory calculations were used to determine that Nb4S3 is metallic and therefore a polar metal, with metallic bands occupied by electrons with primarily niobium character. The electrons near the Fermi level are so closely associated with the niobium sublattice that the sulfur atoms have positive Born effective charges, indicating that the electrostatic interactions between sulfur atoms are unscreened. Calculations of the dependence of the electron density on the sulfur atomic positions confirm that the metallic electrons do not screen the dipole-dipole interactions between sulfur atoms, which allows polarity and metallicity to coexist in Nb4S3. These findings suggest that applied electric fields might be able to reverse the polarity of thin films of Nb4S3.
en_US
dc.language.iso
en
en_US
dc.publisher
American Chemical Society
en_US
dc.title
Formation of a Polar Structure in the Metallic Niobium Sulfide Nb₄S₃
en_US
dc.type
Journal Article
dc.date.published
2021-11-17
ethz.journal.title
Inorganic Chemistry
ethz.journal.volume
60
en_US
ethz.journal.issue
23
en_US
ethz.journal.abbreviated
Inorg. Chem.
ethz.pages.start
17669
en_US
ethz.pages.end
17676
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
Washington, DC
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02160 - Dep. Materialwissenschaft / Dep. of Materials::03903 - Spaldin, Nicola A. / Spaldin, Nicola A.
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02160 - Dep. Materialwissenschaft / Dep. of Materials::03903 - Spaldin, Nicola A. / Spaldin, Nicola A.
ethz.date.deposited
2021-12-18T05:33:24Z
ethz.source
SCOPUS
ethz.eth
yes
en_US
ethz.availability
Metadata only
en_US
ethz.rosetta.installDate
2022-05-04T15:07:57Z
ethz.rosetta.lastUpdated
2022-05-04T15:07:57Z
ethz.rosetta.versionExported
true
ethz.COinS
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