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Register a new userMomentum-Transfer Model of Valence-Band Photoelectron Diffraction
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Owing to strongly enhanced bulk sensitivity, angle- or momentum-resolved photoemission using X-rays is an emergent powerful tool for electronic structure mapping. A novel full-field k-imaging method with time-of-flight energy detection allowed rapid recording of 4D (EB,k) data arrays (EB binding energy; k final-state electron momentum) in the photon-energy range of 400-1700eV. Arrays for the d-band complex of several transition metals (Mo, W, Re, Ir) reveal numerous spots of strong local intensity enhancement up to a factor of 5. The enhancement is confined to small (EB,k)-regions (dk down to 0.01 A-1; dEB down to 200 meV) and is a fingerprint of valence-band photoelectron diffraction. Regions of constructive interference in the (EB,k)-scheme can be predicted in a manner resembling the Ewald construction. A key factor is the transfer of photon momentum to the electron, which breaks the symmetry and causes a rigid shift of the final-state energy isosphere. Working rigorously in k-space, our model does not need to assume a localization in real space, but works for itinerant band states without any assumptions or restrictions. The role of momentum conservation in Fermis Golden Rule at X-ray energies is revealed in a graphical, intuitive way. The results are relevant for the emerging field of time-resolved photoelectron diffraction and can be combined with standing-wave excitation to gain element sensitivity.
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To clarify the whole picture of the valence-band structures of prototype ferromagnetic semiconductors (III,Mn)As (III: In and Ga), we perform systematic experiments of the resonant tunneling spectroscopy on [(In_0.53Ga_0.47)_1-x Mn_x]As (x=0.06-0.15) and In_0.87Mn_0.13As grown on AlAs/ In_0.53Ga_0.47As:Be/ p+InP(001). We show that the valence band of InGaMnAs almost remains unchanged from that of the host semiconductor InGaAs, that the Fermi level exists in the band gap, and that the p-d exchange splitting in the valence band is negligibly small in (InGaMn)As. In the In0.87Mn0.13As sample, although the resonant peaks are very weak due to the large strain induced by the lattice mismatch between InP and InMnAs, our results also indicate that the Fermi level exists in the band gap and that the p-d exchange splitting in the valence band is negligibly small. These results are quite similar to those of GaMnAs obtained by the same method, meaning that there are no holes in the valence band, and that the impurity-band holes dominate the transport and magnetism both in the InGaMnAs and In_0.87Mn_0.13As films. This band picture of (III,Mn)As is remarkably different from that of II-VI-based diluted magnetic semiconductors.
Valence band onset (Ev), valence band tail (VBT) and valence plasmons (VPs) have been studied as a function of sputtering of SnO2 and In2-xSnxO3 (ITO) thin films, using ultraviolet photoemission spectroscopy (UPS). Decrease in Ev with respect to the Fermi level and increase in the density of energy levels of VBT have been observed after 5 minutes of sputtering using Ar+ ions (500V). Bulk and surface components of VPs of Sn, SnO and SnO2 in sputtered SnO2 thin films have been observed in UPS spectra. Similarly, bulk and surface components of VPs of In, Sn and oxygen deficient ITO in sputtered ITO thin films have been observed in UPS spectra. Possible roles of Ev and increase in the density of energy levels of VBT are discussed in the mechanisms of current transport through heterojunctions of SnO2 with semiconductors.
The electronic structure of bulk GaAs$_{1-x}$Bi$_x$ systems for different atomic configurations and Bi concentrations is calculated using density functional theory. The results show a Bi-induced splitting between the light-hole and heavy-hole bands at the $Gamma$-point. We find a good agreement between our calculated splittings and experimental data. The magnitude of the splitting strongly depends on the local arrangement of the Bi atoms but not on the uni-directional lattice constant of the supercell. The additional influence of external strain due to epitaxial growth on GaAs substrates is studied by fixing the in-plane lattice constants.
The energy spectrum of the valence band in HgTe/Cd$_x$Hg$_{1-x}$Te quantum wells with a width $(8-20)$~nm has been studied experimentally by magnetotransport effects and theoretically in framework $4$-bands $kP$-method. Comparison of the Hall density with the density found from period of the Shubnikov-de Haas (SdH) oscillations clearly shows that the degeneracy of states of the top of the valence band is equal to 2 at the hole density $p< 5.5times 10^{11}$~cm$^{-2}$. Such degeneracy does not agree with the calculations of the spectrum performed within the framework of the $4$-bands $kP$-method for symmetric quantum wells. These calculations show that the top of the valence band consists of four spin-degenerate extremes located at $k eq 0$ (valleys) which gives the total degeneracy $K=8$. It is shown that taking into account the mixing of states at the interfaces leads to the removal of the spin degeneracy that reduces the degeneracy to $K=4$. Accounting for any additional asymmetry, for example, due to the difference in the mixing parameters at the interfaces, the different broadening of the boundaries of the well, etc, leads to reduction of the valleys degeneracy, making $K=2$. It is noteworthy that for our case two-fold degeneracy occurs due to degeneracy of two single-spin valleys. The hole effective mass ($m_h$) determined from analysis of the temperature dependence of the amplitude of the SdH oscillations show that $m_h$ is equal to $(0.25pm0.02),m_0$ and weakly increases with the hole density. Such a value of $m_h$ and its dependence on the hole density are in a good agreement with the calculated effective mass.
We analyze microscopically the valence and impurity band models of ferromagnetic (Ga,Mn)As. We find that the tight-binding Anderson approach with conventional parameterization and the full potential LDA+U calculations give a very similar picture of states near the Fermi energy which reside in an exchange-split sp-d hybridized valence band with dominant orbital character of the host semiconductor; this microscopic spectral character is consistent with the physical premise of the k.p kinetic-exchange model. On the other hand, the various models with a band structure comprising an impurity band detached from the valence band assume mutually incompatible microscopic spectral character. By adapting the tight-binding Anderson calculations individually to each of the impurity band pictures in the single Mn impurity limit and then by exploring the entire doping range we find that a detached impurity band does not persist in any of these models in ferromagnetic (Ga,Mn)As.
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