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![[Figure 7]](vp3047fig7mag.jpg)
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Figure 7
Calculated projected density of states (PDOS) around the Fermi level EF 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. S8. Total DOS (TDOS) is also shown (left). Note that Au and X contributions around EF are in the order of 10−3 states cell−1 eV−1 (right), i.e. about one-thousandth as small as those of the atoms in the π-conjugated system of BETS, i.e. the C, S and Se atoms (left). The Hückel parameters are summarized in Table S5. |
![[Figure 7]](vp3047fig7.jpg)
 | STRUCTURAL CHEMISTRY |
ISSN: 2053-2296
