نتایج جستجو برای: first principle

تعداد نتایج: 1560535  

Journal: :Journal of Physics: Conference Series 2010

Journal: :Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2019

Journal: :Journal of Physics and Chemistry of Solids 2017

Journal: :Physica E-low-dimensional Systems & Nanostructures 2021

The buckling effects due to BN-bonds in BN-codoped silicene, BSi6N, on structural stability, electronic band structure, and mechanical, thermal optical properties are studied systematically by first-principle calculations within density functional theory. In the presence of BN-bonds, a high warping BSi6N indicating effect is found repulsive interaction between B N atoms. It thus breaks sublatti...

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