Study of Magnesium Diboride Clusters Using Hybrid Density Functional Theory

<table>Lowest energy
equilibrium structure of (MgB<sub>2</sub>)<sub>3</sub> and
B<sub>6</sub>. Panel 2(a) and 2(b) show two different perspectives
of (MgB<sub>2</sub>)<sub>3</sub>; panel 2(c) shows the NBO for the
lowest energy equilibrium structure of
(MgB<sub>2</sub>)<sub>3</sub>; and panel 2(d) shows the lowest
energy equilibrium structure for B<sub>6</sub>.</table>

Physics Research International

fig2

Figure 2

Figure 2: Study of Magnesium Diboride Clusters Using Hybrid Density Functional Theory 