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Tuning two dimensional nanomaterial's structural and electronic propertieshas facilitated the new research paradigm in electronic device applications. Inthis work, the first principles density functional theory based methods areused to investigate the structural, electronic, and transport properties of anorthorhombic diboron dinitride based polymorph. Interestingly, it depicts a lowband gap semiconducting nature with a robust anisotropic behaviour compared tothe hexagonal boron nitride, which is an insulator and isotropic. We can alsotune the structural and electronic properties of the semiconducting B2N2 basedstructure through an external inplane mechanical strain. Further, by employingthe Landauer Buttiker approach, the electronic transmission function, andelectric current calculations reveal that the diboron dinitride based polymorphshows a robust direction dependent anisotropy of the quantum transportproperties. We have demonstrated the direction dependence of the electriccurrent in two perpendicular directions, where we have observed an electriccurrent ratio of around 61.75 at 0.8 V. All these findings, such as directionaldependence anisotropy in transmission function, current voltagecharacteristics, and bandgap tunning, suggest that the applicability of suchB2N2 based monolayer can be promising for futuristic electronic deviceapplications.

Directional Dependence of the Electronic and Transport Properties of 2D  Monolayer Orthorhombic Diboron Dinitride (o-B2N2): DFT coupled with NEGF  Study