Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation

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Title
Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation
Author(s)
Xiaojing Yao; Ding Yi; Xiuyun Zhang
Publication Date
2019-02
Journal
JOURNAL OF MATERIALS CHEMISTRY C, v.7, no.7, pp.2068 - 2075
Publisher
ROYAL SOC CHEMISTRY
Abstract
By intercalating Cr atoms into borophene hetero-bilayers (BHBs), three kinds of Cr@BHBs, namely, Cr@BHB(1,), Cr@BHB(1,1) and Cr@BHB(,1) are constructed and intriguing electronic and magnetic properties are predicted by density functional theory calculations. Interestingly, a Dirac cone is found in Cr@BHB(1,), which is well conserved even under 8% tensile strain along uniaxial x and biaxial xy directions, and up to 4% tensile strain along the y direction. On the contrary, the Dirac cone disappears when exerting biaxial or uniaxial compressive strains, and Cr@BHB(1,) is transformed into a ferromagnetic half metal or metal eventually. In addition, the Cr@BHB(1,1) and Cr@BHB(,1) isomers are found to be an antiferromagnetic semiconductor and ferromagnetic half metal, respectively, and their electronic and magnetic properties are sensitive to the external strains. Our study proposes a pathway for designing borophene based materials with intriguing properties, which may have potential applications in electronics and spintronics. ©The Royal Society of Chemistry 2019
URI
https://pr.ibs.re.kr/handle/8788114/5698
ISSN
2050-7526
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
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