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Spin-orbit split two-dimensional states of BiTeI/Au(1 1 1) interfaces.

N L Zaitsev1, R Tonner2, I A Nechaev3

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We studied bismuth telluride iodide (BiTeI) trilayers on gold surfaces. The interfaces exhibit a modified surface state with enhanced spin-splitting and a partly occupied giant Rashba spin-split state.

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Area of Science:

  • Condensed Matter Physics
  • Surface Science
  • Materials Science

Background:

  • Bismuth telluride iodide (BiTeI) is a material with potential applications in spintronics.
  • Few-atomic-layer structures can exhibit unique electronic properties, including giant Rashba spin splitting.
  • The Au(111) surface is a well-studied substrate for interface phenomena.

Purpose of the Study:

  • To investigate the electronic and spin properties of interfaces formed by a single trilayer of BiTeI on the Au(111) surface.
  • To compare two interface configurations: Te-Bi-I/Au(111) and I-Bi-Te/Au(111).
  • To understand the modifications to the gold surface state and the BiTeI electronic states upon interface formation.

Main Methods:

  • Ab initio electronic structure calculations.
  • Density Functional Theory (DFT).
  • Analysis of spin-orbit coupling effects and interface states.

Main Results:

  • The formation of an interface state derived from the Au(111) surface state, exhibiting significant spin-splitting and reversed helicity.
  • Partial occupation of the lowest conduction state of the BiTeI trilayer, which is a giant Rashba spin-split state.
  • In the I-Bi-Te/Au(111) interface, the Rashba system shows strong spin-orbit interaction with the outer branch of the spin-split state being mostly populated.

Conclusions:

  • The BiTeI/Au(111) interfaces significantly modify the electronic and spin properties of both the substrate and the overlayer.
  • These interfaces host novel spin-textured electronic states with potential for spintronic device applications.
  • The orientation of the BiTeI trilayer dipole moment influences the resulting interface electronic structure.