Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation
Abstract:
The full-potential LMTO (FP LMTO) method was used for the first time to examine the electronic properties and chemical bonding of the new carbaboride NaB5C in comparison with isostructural and isoelectronic hexaboride CaB6 and ‘B4C2’.