Research Letter
Study of Magnesium Diboride Clusters Using Hybrid Density Functional Theory
Table 1
Optimized bond length in angstroms.
| | MgB2 | (MgB2)2 | (MgB2)3 | B2 | B4 | B6 |
| | = 1.551 | = 1.726 | = 1.545 | = 1.641 | = 1.522 | = 1.797 | | = 2.197 | = 1.581 | = 1.585 | — | — | = 1.586 | | — | = 2.157 | = 1.730 | — | — | = 1.573 | | — | = 2.254 | = 1.700 | — | — | = 1.541 | | — | — | = 2.247 | — | — | — | | — | — | = 2.323 | — | — | — | | — | — | = 3.352 | — | — | — | | — | — | = 2.800 | — | — | — |
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