Abstract:Adsorption on a doped semiconductor surface often induces a gradual formation of a carrier-accumulation layer at the surface. Taking full account of a nonparabolic ͑NP͒ conduction-band dispersion of a narrow-gap semiconductor, such as InAs and InSb, we investigate the evolution of electron states at the surface in an accumulation-layer formation process. The NP conduction band is incorporated into a local-density-functional formalism. We compare the calculated results for the NP dispersion with those for the p… Show more
“…It is also interesting to note that for shallow subbands, located less than 0.1 eV below E F , corrections to their minimal energies resulting from allowing different values of λ are not large, see Table II. Therefore our results agree with earlier calculations by Abe et al [62], referring to such shallow subbands, despite the fact that the specific surface boundary condition, corresponding here to λ → ∞, has been only considered by Abe et al…”
Two-dimensional electron gases (2DEGs) at surfaces and interfaces of semiconductors are described straightforwardly with a one-dimensional (1D) self-consistent Poisson-Schrödinger scheme. However, their band energies have not been modeled correctly in this way. Using angle-resolved photoelectron spectroscopy we study the band structures of 2DEGs formed at sulfur-passivated surfaces of InAs(001) as a model system. Electronic properties of these surfaces are tuned by changing the S coverage, while keeping a high-quality interface, free of defects and with a constant doping density. In contrast to earlier studies we show that the Poisson-Schrödinger scheme predicts the 2DEG band energies correctly but it is indispensable to take into account the existence of the physical surface. The surface substantially influences the band energies beyond simple electrostatics, by setting nontrivial boundary conditions for 2DEG wave functions.
“…It is also interesting to note that for shallow subbands, located less than 0.1 eV below E F , corrections to their minimal energies resulting from allowing different values of λ are not large, see Table II. Therefore our results agree with earlier calculations by Abe et al [62], referring to such shallow subbands, despite the fact that the specific surface boundary condition, corresponding here to λ → ∞, has been only considered by Abe et al…”
Two-dimensional electron gases (2DEGs) at surfaces and interfaces of semiconductors are described straightforwardly with a one-dimensional (1D) self-consistent Poisson-Schrödinger scheme. However, their band energies have not been modeled correctly in this way. Using angle-resolved photoelectron spectroscopy we study the band structures of 2DEGs formed at sulfur-passivated surfaces of InAs(001) as a model system. Electronic properties of these surfaces are tuned by changing the S coverage, while keeping a high-quality interface, free of defects and with a constant doping density. In contrast to earlier studies we show that the Poisson-Schrödinger scheme predicts the 2DEG band energies correctly but it is indispensable to take into account the existence of the physical surface. The surface substantially influences the band energies beyond simple electrostatics, by setting nontrivial boundary conditions for 2DEG wave functions.
“…Details of our framework and of our model are described in Ref. 34. We adopt slab geometry to make it easier to obtain a self-consistent solution.…”
Section: Theorymentioning
confidence: 99%
“…However, this work was only weakly correlated with the experiment, and restricted to a smaller N s range. 34 In this work, by combining the above LDF calculation with the UPS experiment, we make an accurate evaluation of the subband structure, especially the accumulated-carrier density, the subbandedge energies, and the subband energy dispersion. This analysis follows the accumulation-layer formation process up to such a large N s range as to reveal that the subband dispersion (particularly the lowest-subband one) varies significantly in this process, and that this variation has a considerable influence on collective excitations in the subband.…”
Section: Introductionmentioning
confidence: 99%
“…This nonparabolicity exerts a remarkable influence on the subband dispersion in the accumulation layer as well. 34 Electric currents or collective electronic excitations in the accumulation layer can be ascribed to free carriers in the subbands. To analyze these phenomena quantitatively, we have to make an accurate evaluation of the subband dispersion, especially around the Fermi level.…”
Section: Introductionmentioning
confidence: 99%
“…34 We employ the conduction-band dispersion that can be obtained by the k · p method including the spin-orbit splitting. 35 Our previous work on the carrier-accumulation layer at the InAs surface elucidated the nonparabolicity effect on the subbands.…”
Adsorption on an n-type InAs surface often induces a gradual formation of a carrieraccumulation layer at the surface. By means of high-resolution photoelectron spectroscopy (PES), Betti et al. made a systematic observation of subbands in the accumulation layer in the formation process. Incorporating a highly nonparabolic (NP) dispersion of the conduction band into the local-density-functional (LDF) formalism, we examine the subband structure in the accumulation-layer formation process. Combining the LDF calculation with the PES experiment, we make an accurate evaluation of the accumulated-carrier density, the subband-edge energies, and the subband energy dispersion at each formation stage. Our theoretical calculation can reproduce the three observed subbands quantitatively. The subband dispersion, which deviates downward from that of the projected bulk conduction band with an increase in wave number, becomes significantly weaker in the formation process.
Quantitative analysis of the electron accumulation layer formed near nonideal (actual) semiconductor surface causes considerable difficulties. In the present article, for the accumulation layers induced in the subsurface region at the real narrow‐gap semiconductor‐insulator interface, an effective algorithmic approach providing a simplified self‐consistent solution of the Poisson and Schrödinger equations is proposed and discussed. The physical model takes into account the conduction band nonparabolicity, electron gas degeneration, and other dominant features of solids in question; special attention is paid to the existence of semiconductor‐dielectric intermediate layer. A novel approximation for the surface electrostatic potential in the form of a modified Кratzer potential is proposed and substantiated. It allows us to obtain the electron wavefunctions and energy spectrum in the analytical form. It is shown that the modified Кratzer potential is a good approximation function applicable at least to subsurface electron accumulation layers induced at the A3B5 narrow‐gap semiconductor boundary surface allowing for the existence of a semiconductor‐insulator intermediate layer. For the n‐InSb nonideal surface, as an example, spatial distribution of electron potential energy, discrete energy spectrum of electrons in the broad range of surface densities (up to 1013 cm‐2), and some other physical characteristics are calculated using the proposed algorithm.
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