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Electronic structure, bulk and magnetic properties of MB6 and MB12 borides Export

Journal of Alloys and Compounds, Vol. 442, No. 1-2. (13 September 2007), pp. 228-230.

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bonding borides

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The 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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