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Figure 4
An enlarged view of the calculated bands at the Dirac point of BETS2AuX2 (X = Br and Cl; 298 K; an extended Hückel tight-binding method). The corresponding figure for BETS2AuCl2 at 97 K is shown in Fig. S7. The blue and red cones are parts of the conduction and valence bands, respectively. The grey plane indicates the Fermi level EF. Note that blue and red cones almost touch each other on the grey plane. The Dirac points are located at (ka, kb) = (∓0.323, ±0.385) and (∓0.305, ±0.380) for the AuBr2 and AuCl2 salts, respectively. The Hückel parameters are summarized in Table S5.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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