Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/105027
Full metadata record
DC FieldValueLanguage
dc.contributor.authorLi, C.en
dc.contributor.authorZhao, Y. F.en
dc.contributor.authorChi, B. Q.en
dc.contributor.authorGong, Y. Y.en
dc.contributor.authorSun, Chang Qingen
dc.date.accessioned2019-08-02T01:21:35Zen
dc.date.accessioned2019-12-06T21:44:42Z-
dc.date.available2019-08-02T01:21:35Zen
dc.date.available2019-12-06T21:44:42Z-
dc.date.issued2014en
dc.identifier.citationLi, C., Zhao, Y. F., Chi, B. Q., Gong, Y. Y., & Sun, C. Q. (2014). The effects of chemical bonding on the topological property of half- Heusler compounds: First principle calculation. Computational Condensed Matter, 1, 8-13. doi:10.1016/j.cocom.2014.08.002en
dc.identifier.issn2352-2143en
dc.identifier.urihttps://hdl.handle.net/10356/105027-
dc.description.abstractThe dependence of (EΓ6–EΓ8) on the lattice constants has been studied for four half- Heusler compounds. First principle simulation was carried out to calculate the electronic structure and the obtained results were compared among different compounds. It is found that the change of (EΓ6–EΓ8) with strain exhibits opposite trend for III-VIII-V half- Heusler compounds and II-VIII-VI half- Heusler compounds. Moreover, for III-VIII-V half- Heusler compounds the valent orbital are usually fixed and the conduct orbital move away from Fermi level, whereas for II-VIII-VI half- Heusler compounds the conduct orbital tend to be fixed and the valent orbital move away from Fermi level as the lattice constant is reduced. The different trends of the variation of electronic structures are caused by the different extra-nuclear electrons of IIA and IIIB group elements which change their chemical bonding.en
dc.format.extent6 p.en
dc.language.isoenen
dc.relation.ispartofseriesComputational Condensed Matteren
dc.rights© 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).en
dc.subjectEngineering::Electrical and electronic engineeringen
dc.subjectHalf-Heusler Compoundsen
dc.subjectTopological Insulatoren
dc.titleThe effects of chemical bonding on the topological property of half- Heusler compounds : first principle calculationen
dc.typeJournal Articleen
dc.contributor.schoolSchool of Electrical and Electronic Engineeringen
dc.identifier.doi10.1016/j.cocom.2014.08.002en
dc.description.versionPublished versionen
item.fulltextWith Fulltext-
item.grantfulltextopen-
Appears in Collections:EEE Journal Articles
Files in This Item:
File Description SizeFormat 
The effects of chemical bonding on the topological property of half- Heusler compounds.pdf2.15 MBAdobe PDFThumbnail
View/Open

SCOPUSTM   
Citations 50

2
Updated on Mar 26, 2024

Web of ScienceTM
Citations 50

3
Updated on Oct 26, 2023

Page view(s)

234
Updated on Mar 28, 2024

Download(s) 50

57
Updated on Mar 28, 2024

Google ScholarTM

Check

Altmetric


Plumx

Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.