ELECTRONIC STRUCTURES OF DIRECT-STACKED BIPHENYLENE NETWORK: A DFT STUDY

Art Anthony Z. Munio; Alvanh Alem G. Pido; Kenneth Ian M. Balili

doi:10.17605/OSF.IO/6C87W

Authors

Art Anthony Z. Munio College of Arts and Sciences, Jose Rizal Memorial State University – Tampilisan Campus 7116 Tampilisan, Philippines
Alvanh Alem G. Pido Department of Physics, Mindanao State University – Main Campus, 9700 Marawi City, Philippines
Kenneth Ian M. Balili Department of Physics , Mindanao State University – Iligan Institute of Technology, 9200 Iligan City, Philippines

DOI:

https://doi.org/10.17605/OSF.IO/6C87W

Abstract

Here we provide a short theoretical report on the electronic structures of direct-stacked Biphenylene networks using density functional theory. The calculations reveal that direct-stacking of Biphenylene networks leads to splitting and shifting of the electronic bands, which leads to the slight deviation of the electronic density of states of the direct-stacked Biphenylene network compared to the monolayer Biphenylene network. However, in general, the band structure and density states of the direct-stacked systems resemble that of the monolayer Biphenylene network The calculations on the charge density difference show a very small charge redistribution in the direct-stacked systems. These findings provide a preliminary understanding of the properties Biphenylene network in its stacked form.

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