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Electronic structure, bulk and magnetic properties of MB6 and MB12 borides |
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AbstractThe bulk and magnetic properties of MB 6 and MB 12 were investigated on the basis of first principles electronic structure calculations. The elastic constants were measured for ZrB 12 , HoB 12 , ErB 12 , TmB 12 , LuB 12 , YB 6 and LaB 6 compounds at low temperatures. The calculated equations of states and balanced crystal orbital overlap populations have allowed to analyse bonding and magnetic properties of MB 6 and MB 12 .
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