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The bilayer and thin films of Bi(111) have demonstrated novel topological properties. Here, we investigate the electronic structures of Bi/Bi 2 Te 3 (111) and Bi/Al 2 O 3 (0001) by combining first-principles and tight-binding approximation calculations. Our results find that the Bi(111) bilayer is a semiconductor with a gap of about 0.2 eV. Its electronic states are strongly disturbed by the interaction with Bi 2 Te 3 (111) thin films, regardless of whether the substrates have a band gap or Dirac surface states. Moreover, it is hard to see Rashba-type band splittings in such systems. In contrast, it demonstrates clean and giant Rashba-type splittings as interfaced with insulating Al 2 O 3 (0001), which is due to that the broken inversion symmetry induced by interfacing and strong atomic spin-orbit coupling in Bi. Our tight-binding approximation analyses further reveal that the interfacing effects on the band structure of the Bi(111) bilayer is mimic to those of external electric fields. For Bi/Al 2 O 3 (0001), the effective electric field is in the range of 0.5 and 0.6 V/Å. Moreover, we find that the Bi(111) bilayer experiences a topological transition upon interfacing with Bi 2 Te 3 (111). Our study thus provides insights into interface-engineering of electronic states of Bi(111) bilayer.

wuli xuebao

Effects of Bi&lt;sub&gt;2&lt;/sub&gt;Te&lt;sub&gt;3&lt;/sub&gt;(111) and Al&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;(0001) substrates on electronic and topological properties of Bi(111) bilayer