Optical conductivity enhancement and thermal reduction of BN-codoped MgO nanosheet: Significant effects of B-N atomic interaction
نویسندگان
چکیده
We investigate the electronic, thermal, and optical properties of BN-codoped MgO monolayers taking into account interaction effects between B N dopant atoms. The relatively wide indirect band gap a pure nanosheet can be changed to narrow direct by tuning B-N attractive interaction. reduction does not only enhance properties, including absorption spectra conductivity, but also most intense peak is shifted from Deep-UV visible light region. red shifting conductivity are caused In addition, both isotropic anisotropic characteristics seen in depending on strength heat capacity reduced for BN-doped monolayer, which referred changes bond dissociation energy. energy decreases as difference electronegativities bonded atoms decreases. lower leads weaker endothermic process resulting capacity. An ab initio molecular dynamics, AIMD, calculation utilized check thermodynamic stability monolayers. thus confirm that BN-codopant used gain control thermo- opto-electronic devices.
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ژورنال
عنوان ژورنال: Solid State Communications
سال: 2023
ISSN: ['1879-2766', '0038-1098']
DOI: https://doi.org/10.1016/j.ssc.2023.115218