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