First-principles studyontheelectronicandmagneticproperties of armchairgraphane/grapheneheterostructurenanoribbons
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- First-principles studyontheelectronicandmagneticproperties of armchairgraphane/grapheneheterostructurenanoribbons
- 发表刊物：
- Solid StateCommunications
- 摘要：
- In thispaper,theelectronicandmagneticpropertiesofelectronicandmagneticpropertiesofarmchair
graphane/grapheneheterostructurenanoribbons(AGA/GNRs)havebeensystematicallyinvestigatedby
first-principles calculationsbasedondensityfunctionaltheory.Thecalculatedresultsindicatethat13-
armchair graphanenanoribbon(13-AGANR),13-armchairgraphenenanoribbons(13-AGNR)andhybrid
armchair graphane/graphenenanoribbons(AGA13x/GxNRs) arealldirectsemiconductors(13,13x and
x are denotedasthenanoribbons’ widths). ThebandstructuresneartheFermilevelofAGA13x/GxNRs
are mainlydeterminedbythegraphenesectionandtheatomicchargetransfersintheinterfaceof
AGA13x/GxNRs arestronger.AGA7/G6NR withDBdefectsatAGANRedgeobviouslyaffectthemagnetic
properties. Thesediverseandtunableelectronicandmagneticpropertiescanbeatheoreticalguidance
for thedesignofnovelnanoelectronicdevices.
- 合写作者：
- W.X.Zhang, C.He*, T.Li
- 卷号：
- 211,（2015），23
- 页面范围：
- 23
- 是否译文：
- 否
- 发表时间：
- 2015-04-03