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Efficient tight-binding approach for the study of strongly correlated systems

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Figure

TABLE I. Lattice constants and elastic parameters calculated
FIG. 1. �SDFTB+Color online� Spin-resolved band structure of rocksalt ErN calculated with the SDFTB �first row� and SDFTB+U FLL andU AMF �second and third rows� approaches.
TABLE II. Bond lengths �the definition of the entries in the table, see text. The local strain is defined as the ratio between the Er-Nbonds and the Ga-N� and local strain around the C3v ErGa substitutional in hexagonal GaN
FIG. 3. The substitutional ErGacalculated withare the DFTB calculations, and in the second, in wurtzite GaN
+2

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