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RESEARCH PRODUCT

Discovery of new boron-rich chalcogenides: Orthorhombic B6X (X=S, Se)

Iurii DovgaliukZhenhai WangZhenhai WangAleksandr KalinkoAleksandr KalinkoVladimir A. MukhanovKirill A. CherednichenkoVladimir L. SolozhenkoArtem R. OganovArtem R. OganovArtem R. Oganov

subject

DiffractionMaterials sciencePhononlcsh:MedicineFOS: Physical sciences02 engineering and technology[CHIM.INOR]Chemical Sciences/Inorganic chemistry01 natural scienceschemistry.chemical_compoundsymbols.namesakeCondensed Matter::Materials ScienceAb initio quantum chemistry methodsSelenideCondensed Matter::Superconductivity0103 physical sciences[CHIM.CRIS]Chemical Sciences/Cristallographylcsh:Science010302 applied physicsCondensed Matter - Materials ScienceMultidisciplinaryRietveld refinementlcsh:RMaterials Science (cond-mat.mtrl-sci):NATURAL SCIENCES::Physics [Research Subject Categories][CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyAmorphizationCrystal structure predictionBoron CarbideCrystallographychemistrysymbolslcsh:QOrthorhombic crystal systemNeutron Absorber0210 nano-technologyRaman spectroscopy

description

The authors thank T. Chauveau (LSPM) for help with Rietveld analysis, A. Jamali (LRCS) for assistance with SEM measurements, and Drs. Y. Tange (SPring-8) and N. Guignot (SOLEIL) for help in synchrotron experiments that were carried out during beamtimes allocated to proposals 2017A1047 & 2018A1121 at SPring-8 and proposal 20170092 at SOLEIL. Ab initio calculations have been performed using Rurik and Arkuda supercomputers. This work was financially supported by the European Union’s Horizon 2020 Research and Innovation Programme under Flintstone2020 project (grant agreement No. 689279). Z.W. thanks the National Science Foundation of China (grant No. 11604159). A.R.O. thanks the Russian Ministry of Science and Higher Education (grant 2711.2020.2 to leading scientific schools).

10.1038/s41598-020-66316-yhttps://epn-library.esrf.fr/flora/jsp/index_view_direct_anonymous.jsp?record=doc:PUB_ESRF:55576