Electronic Properties of Cluster Model of Magnesium Diboride-Carbon Nanotubes

摘要

Research of structures based on magnesium diboride (MgB_2) is an urgent problem in connection with their interesting physical properties and wide potential in industry. The most interesting structures are in a form of nanotubes considered in [1] and a combination of MgB_2 with carbon nanotubes [2] (the latter compounds are more promising [3]). Therefore, electronic properties of various cluster models are studied in this paper: the cluster model of layers of MgB_2, noncarbon nanotubes with atoms of MgB_2. The cluster models of magnesium diboride structures and models of non-carbon nanotubes are presented. A band structure calculation of magnesium diboride-carbon tubes is performed. A comparative analysis of obtained results and literature data is shown. This paper discusses an issue of further ab initio calculations of the structures, such as fullerenes with a full content of B.