NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

Handle URI:
http://hdl.handle.net/10754/601581
Title:
NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds
Authors:
Zhang, Xiaoming; Hou, Zhipeng; Wang, Yue; Xu, Guizhou; Shi, Chenglong; Liu, EnKe; Xi, Xuekui; Wang, Wenhong; Wu, Guangheng; Zhang, Xixiang ( 0000-0002-3478-6414 )
Abstract:
Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds 2016, 6:23172 Scientific Reports
Publisher:
Nature Publishing Group
Journal:
Scientific Reports
Issue Date:
16-Mar-2016
DOI:
10.1038/srep23172
Type:
Article
ISSN:
2045-2322
Sponsors:
This work was supported by the National Program on Key Basic Research Project (Grant No. 2012CB619405 and 2011CB012800), National Natural Science Foundation of China, NSFC (Grant Nos 51371190, 51301195 and No. 11474343), and Strategic Priority Research Program B of the Chinese Academy of Sciences under the grant No. XDB07010300.
Additional Links:
http://www.nature.com/articles/srep23172
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorZhang, Xiaomingen
dc.contributor.authorHou, Zhipengen
dc.contributor.authorWang, Yueen
dc.contributor.authorXu, Guizhouen
dc.contributor.authorShi, Chenglongen
dc.contributor.authorLiu, EnKeen
dc.contributor.authorXi, Xuekuien
dc.contributor.authorWang, Wenhongen
dc.contributor.authorWu, Guanghengen
dc.contributor.authorZhang, Xixiangen
dc.date.accessioned2016-03-17T13:16:46Zen
dc.date.available2016-03-17T13:16:46Zen
dc.date.issued2016-03-16en
dc.identifier.citationNMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds 2016, 6:23172 Scientific Reportsen
dc.identifier.issn2045-2322en
dc.identifier.doi10.1038/srep23172en
dc.identifier.urihttp://hdl.handle.net/10754/601581en
dc.description.abstractSpin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.en
dc.description.sponsorshipThis work was supported by the National Program on Key Basic Research Project (Grant No. 2012CB619405 and 2011CB012800), National Natural Science Foundation of China, NSFC (Grant Nos 51371190, 51301195 and No. 11474343), and Strategic Priority Research Program B of the Chinese Academy of Sciences under the grant No. XDB07010300.en
dc.language.isoenen
dc.publisherNature Publishing Groupen
dc.relation.urlhttp://www.nature.com/articles/srep23172en
dc.rightsThis work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/en
dc.titleNMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compoundsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalScientific Reportsen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionState Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorZhang, Xixiangen
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