Abstract:
It was shown theoretically that a new material SrOs$_2$O$_6$ can exist; the crystal structure of SrOs$_2$O$_6$ is formed by the layers of OsO$_6$ octahedra having common edges and forming a honeycomb type lattice. The structural and electronic properties of SrOs$_2$O$_6$ were investigated by the first-principal calculations. An antiferromagnetic structure was found to be energetically favorable for the studied compound.
Keywords:ab initio calculations, low dimensional magnetism, band structure.