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Indirect-direct band transformation of few-layer BiOCl under biaxial strain

Journal Article


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Abstract


  • Being a new two-dimensional layered compounds, the tunable indirect-direct band transformation of BiOCl with different layers can be realized by introducing the biaxial tensile or compressive strains. The band structure and stability of BiOCl with different layers are first researched to clarify the influence of layer numbers. A phase transformation of bilayer BiOCl and metallic characteristic for all are observed under large tensile and compressive strains, respectively. In addition, bond length, interlayer spacing, and band decomposed charge density are calculated to analyze the mechanism behind these phenomena. The results indicate that the band structure transformation is primarily related to the competitions between two kinds of intralayer and interlayer Bi-O bonds and hybridizations between atoms under strains.

Authors


  •   Xu, Zhongfei (external author)
  •   Hao, Weichang (external author)
  •   Zhang, Qianfan (external author)
  •   Fu, Zhongheng (external author)
  •   Feng, Haifeng
  •   Du, Yi
  •   Dou, Shi Xue

Publication Date


  • 2016

Citation


  • Xu, Z., Hao, W., Zhang, Q., Fu, Z., Feng, H., Du, Y. & Dou, S. (2016). Indirect-direct band transformation of few-layer BiOCl under biaxial strain. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, 120 (16), 8589-8594.

Scopus Eid


  • 2-s2.0-84966290840

Ro Full-text Url


  • http://ro.uow.edu.au/context/aiimpapers/article/2951/type/native/viewcontent

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/1949

Has Global Citation Frequency


Number Of Pages


  • 5

Start Page


  • 8589

End Page


  • 8594

Volume


  • 120

Issue


  • 16

Place Of Publication


  • United States

Abstract


  • Being a new two-dimensional layered compounds, the tunable indirect-direct band transformation of BiOCl with different layers can be realized by introducing the biaxial tensile or compressive strains. The band structure and stability of BiOCl with different layers are first researched to clarify the influence of layer numbers. A phase transformation of bilayer BiOCl and metallic characteristic for all are observed under large tensile and compressive strains, respectively. In addition, bond length, interlayer spacing, and band decomposed charge density are calculated to analyze the mechanism behind these phenomena. The results indicate that the band structure transformation is primarily related to the competitions between two kinds of intralayer and interlayer Bi-O bonds and hybridizations between atoms under strains.

Authors


  •   Xu, Zhongfei (external author)
  •   Hao, Weichang (external author)
  •   Zhang, Qianfan (external author)
  •   Fu, Zhongheng (external author)
  •   Feng, Haifeng
  •   Du, Yi
  •   Dou, Shi Xue

Publication Date


  • 2016

Citation


  • Xu, Z., Hao, W., Zhang, Q., Fu, Z., Feng, H., Du, Y. & Dou, S. (2016). Indirect-direct band transformation of few-layer BiOCl under biaxial strain. The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, 120 (16), 8589-8594.

Scopus Eid


  • 2-s2.0-84966290840

Ro Full-text Url


  • http://ro.uow.edu.au/context/aiimpapers/article/2951/type/native/viewcontent

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/1949

Has Global Citation Frequency


Number Of Pages


  • 5

Start Page


  • 8589

End Page


  • 8594

Volume


  • 120

Issue


  • 16

Place Of Publication


  • United States