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The electronic, thermal, magnetic and optical properties of BN-codopedstrontium oxide (SrO) monolayers are studied taking into account theinteraction effects between the B and the N dopant atoms. The indirect band gapof a pure two dimensional SrO is modified to a narrow direct band gap by tuningthe B-N attractive interaction. The B or N separately doped SrO leads to ametallic behavior, while a BN-codoped SrO has a semiconductor character. Thestrong B-N attractive interaction changes a non-magnetic SrO to a magneticsystem and reduces its heat capacity. An ab initio molecular dynamics, AIMD,calculations are also utilized to check the thermodynamic stability of the pureand BN-codoped SrO monolayers. The band gap reduction of SrO increases theoptical conductivity shifting the most intense peak from the Deep-UV to thevisible light region. The red shifted optical conductivity emerges due to theB-N attractive interaction. In addition, both iso- and anisotropic charactersare seen in the optical properties depending on the strength of the B-Nattractive interaction. It can thus be confirmed that the interaction effectsof the BN-codopants can be used to control the properties of SrO monolayers forthermo- and opto-electronic devices.

Controlling electronic, magnetic, thermal, and optical properties of  boron-nitrogen codoped strontium oxide monolayer: Activation of optical  transitions in the VL region