journal article·2016-04-28Open access

Indirect-Direct Band Transformation of Few-Layer BiOCl under Biaxial Strain

Zhongfei Xu, Weichang Hao, Qianfan Zhang, Zhongheng Fu, Haifeng Feng, Yi Du, Shixue Dou

The Journal of Physical Chemistry C· Volume 120· Issue 16

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.
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Research context

OpenAlex topics: 2D Materials and Applications · Advanced Photocatalysis Techniques · MXene and MAX Phase Materials

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Affiliations

Department of Physics and Key Laboratory of Micro-nano Measurement, Manipulation and Physics, Ministry of Education (MOE), Beihang University, Beijing 100191, P. R. China

BUAA-UOW Joint Research Centre, Beihang University, Beijing 100191, P. R. China

School of Materials Science and Engineering, Beihang University, Beijing 100191, P. R. China

Institutefor Superconducting and Electronic Materials, University of Wollongong, Wollongong NSW 2522, Australia

Funding

Program for New Century Excellent Talents in University · Ministry of Education of the People's Republic of China · Australian Research Council · National Natural Science Foundation of China · Beijing Key Discipline Fundation of Condensed Matter Physics

References (36)

Show source-provided references
1. 10.1021/nn400280c10.1021/nn400280c ↗
2. 10.1126/science.124650110.1126/science.1246501 ↗
3. 10.1021/nl501907g10.1021/nl501907g ↗
4. 10.1021/nn204667z10.1021/nn204667z ↗
5. 10.1038/nnano.2012.19310.1038/nnano.2012.193 ↗
6. 10.1038/nmat231710.1038/nmat2317 ↗
7. 10.1039/C4CC03636K10.1039/C4CC03636K ↗
8. 10.1039/C3NR03998F10.1039/C3NR03998F ↗
9. 10.1016/S1001-0521(08)60123-010.1016/S1001-0521(08)60123-0 ↗
10. 10.1016/j.apcatb.2006.08.00210.1016/j.apcatb.2006.08.002 ↗
11. 10.1021/jp077471t10.1021/jp077471t ↗
12. 10.1021/ja402956f10.1021/ja402956f ↗
13. 10.1039/C4CP03166K10.1039/C4CP03166K ↗
14. 10.1021/ja210484t10.1021/ja210484t ↗
15. 10.1039/C4CP02801E10.1039/C4CP02801E ↗
16. 10.1039/C4CP05142D10.1039/C4CP05142D ↗
17. 10.1016/j.cplett.2015.01.03810.1016/j.cplett.2015.01.038 ↗
18. 10.1002/ange.20141124610.1002/ange.201411246 ↗
19. 10.1088/0953-8984/19/26/26621210.1088/0953-8984/19/26/266212 ↗
20. 10.1103/PhysRevLett.112.17680110.1103/PhysRevLett.112.176801 ↗
21. 10.1103/PhysRevB.90.20542110.1103/PhysRevB.90.205421 ↗
22. 10.1007/s12274-011-0183-010.1007/s12274-011-0183-0 ↗
23. 10.1021/acsami.5b0890410.1021/acsami.5b08904 ↗
24. 10.1524/zkri.1993.205.12.3510.1524/zkri.1993.205.12.35 ↗
25. 10.1016/j.apcatb.2006.08.00210.1016/j.apcatb.2006.08.002 ↗
26. 10.1103/PhysRevLett.103.08680210.1103/PhysRevLett.103.086802 ↗
27. 10.1103/PhysRevB.72.16542310.1103/PhysRevB.72.165423 ↗
28. 10.1103/PhysRevB.83.24521310.1103/PhysRevB.83.245213 ↗
29. 10.1103/PhysRevB.81.11520110.1103/PhysRevB.81.115201 ↗
30. 10.1038/srep0696810.1038/srep06968 ↗
31. 10.1038/nature1496410.1038/nature14964 ↗
32. 10.1063/1.487415810.1063/1.4874158 ↗
33. 10.1021/jp208689510.1021/jp2086895 ↗
34. 10.1103/PhysRevB.90.08540210.1103/PhysRevB.90.085402 ↗
35. 10.1021/acs.jpcc.5b0031710.1021/acs.jpcc.5b00317 ↗
36. 10.1021/nn301320r10.1021/nn301320r ↗