Abstract
The stability of the several crystallographic structures proposed for Uranium Digermanide, UGe 2 is studied by calculating the total electronic energy. Based on experimental crystallographic data ab-initio electronic structure calculations were performed. The tight-binding linear muffin-tin orbitals (TB-LMTO) method in the atomic sphere approximation (ASA) was used. Direct comparison of total energies showed that the most stable structure is the ZrGa 2 one. The calculations were performed for para- and ferromagnetic state and for different types of the exchange-correlation potential.
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