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Tuning independently Fermi energy and spin splitting in Rashba systems: Ternary surface alloys on Ag(111)

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 Publication date 2010
  fields Physics
and research's language is English




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By detailed first-principles calculations we show that the Fermi energy and the Rashba splitting in disordered ternary surface alloys (BiPbSb)/Ag(111) can be independently tuned by choosing the concentrations of Bi and Pb. The findings are explained by three fundamental mechanisms, namely the relaxation of the adatoms, the strength of the atomic spin-orbit coupling, and band filling. By mapping the Rashba characteristics,i.e.the splitting and the Rashba energy, and the Fermi energy of the surface states in the complete range of concentrations. Our results suggest to investigate experimentally effects which rely on the Rashba spin-orbit coupling in dependence on spin-orbit splitting and band filling.



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The Fermi and Rashba energies of surface states in the Bi_xPb_{1-x}/Ag(111) alloy can be tuned simultaneously by changing the composition parameter x. We report on unconventional Fermi surface spin textures observed by spin and angle-resolved photoemission spectroscopy {that are correlated with a topological transition of the Fermi surface occurring at x=0.5. We show that the surface states remain fully spin polarized upon alloying and that the spin polarization vectors are approximately tangential to the constant energy contours. We discuss the implications of the topological transition for the transport of spin.
A comprehensive mapping of the spin polarization of the electronic bands in ferroelectric a-GeTe(111) films has been performed using a time-of-flight momentum microscope equipped with an imaging spin filter that enables a simultaneous measurement of more than 10.000 data points (voxels). A Rashba type splitting of both surface and bulk bands with opposite spin helicity of the inner and outer Rashba bands is found revealing a complex spin texture at the Fermi energy. The switchable inner electric field of GeTe implies new functionalities for spintronic devices.
In systems with broken inversion symmetry spin-orbit coupling (SOC) yields a Rashba-type spin splitting of electronic states, manifested in a k-dependent splitting of the bands. While most research had previously focused on 2D electron systems, recently a three-dimensional (3D) form of such Rashba-effect was found in a series of bismuth tellurohalides. Whereas these materials exhibit a very large spin-splitting, they lack an important property concerning functionalization, namely the possibility to switch or tune the spin texture. This limitation can be overcome in a new class of functional materials displaying Rashba-splitting coupled to ferroelectricity: the ferroelectric Rashba semiconductors (FERS). Using spin- and angle-resolved photoemission spectroscopy (SARPES) we show that GeTe(111) forms a prime member of this class, displaying a complex spin-texture for the Rashba-split surface and bulk bands arising from the intrinsic inversion symmetry breaking caused by the ferroelectric polarization of the bulk (FE). Apart from pure surface and bulk states we find surface-bulk resonant states (SBR) whose wavefunctions entangle the spinors from the bulk and surface contributions. At the Fermi level their hybridization results in unconventional spin topologies with cochiral helicities and concomitant gap opening. The GeTe(111) surface and SBR states make the semiconductor surface conducting. At the same time our SARPES data confirm that GeTe is a narrow-gap semiconductor, suggesting that GeTe(111) electronic states are endowed with spin properties that are theoretically challenging to anticipate. As the helicity of the spins in Rashba bands is connected to the direction of the FE polarization, this work paves the way to all-electric non-volatile control of spin-transport properties in semiconductors.
We present a detailed analysis of the band structure of the BiAg$_2$/Ag/Si(111) trilayer system by means of high resolution Angle Resolved Photoemission Spectroscopy (ARPES). BiAg2/Ag/Si(111) exhibits a complex spin polarized electronic structure due to giant spin-orbit interactions. We show that a complete set of constant energy ARPES maps, supplemented by a modified nearly free electron calculation, provides a unique insight into the structure of the spin polarized bands and spin gaps. We also show that the complex gap structure can be continuously tuned in energy by a controlled deposition of an alkali metal.
The first principles density functional theory (DFT) is applied to study effects of molecular adsorption on optical losses of silver (111) surface. The ground states of the systems including water, methanol, and ethanol molecules adsorbed on Ag (111) surface were obtained by the total energy minimization method within the local density approximation (LDA). Optical functions were calculated within the Random Phase Approximation (RPA) approach. Contribution of the surface states to optical losses was studied by calculations of the dielectric function of bare Ag (111) surface. Substantial modifications of the real and imaginary parts of the dielectric functions spectra in the near infrared and visible spectral regions, caused by surface states and molecular adsorption, were obtained. The results are discussed in comparison with available experimental data.
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