Electronic structure of the GeGaAs (111) and (111) heterojunctions

The electronic density of states for GeGaAs (111) and ($\text{1}$$\text{1}$$\text{1}$) heterojunctions has been calculated. No interface states in the fundamental gap are found. A sizeable density of interface states below the top of the valence band is found for GeGa bonds-(111) junctions-interface states in the ionic gap are reported. The effect of varying the amount of the valence band discontinuity across the interface is discussed.     

Structure and electronic properties of cleaved Si(111) upon Ge adsorption

The effect of ultrahigh vacuum deposition of Ge below and at monolayer coverage onto clean cleaved Si(111) surface held at room temperature is studied by low energy electron diffraction, Auger electron specroscopy and photoemission yield spectroscopy. A well ordered $\text{3}\text{×}\text{3}$ R 30° structure developes at $\text{1}\text{3}$ ML, where it replaces the 2 × 1 initial pattern; it persists at $\text{2}\text{3}$ ML before transforming into a 1 × 1 diagram which fades into increasing background at 1 ML and up. Si surface dangling bonds are replaced at $\text{1}\text{3}$ ML by states associated with Ge-Si bonds and Ge dangling bonds to which states due to Ge-Ge bonds added upon increasing coverage.     

Interpretation of a new feature in photoemission from Cu based alloys with polyvalent solutes

In our recent angle resolved photoemission studies of oriented single crystal surface of $\text{Cu}$Al and $\text{Cu}$Ge solid solutions we had found a new structure lying between 4 and 5 eV below the Fermi energy, which could not be related to either the bulk or the surface states in the random alloy. To understand its nature and origin we report and discuss photoemission measurements from Cu films, submonolayer to a monolayer thick, deposited on the Al(111) and $\text{Cu}\text{Al(111)(}\text{3}\text{×}\text{3}\text{R}\text{30°)}$ alloy surfaces and from Al and Zn alloys containing dilute Cu impurities. Some experiments on the (100) surfaces in the various cases were also carried out. On the basis of these results, we suggest that the aforementioned new photoemission feature is characteristic of Cu clusters and isolated Cu impurities in polyvalent impurity-rich environment. These clusters probably lie at the topmost layer of the $\text{Cu}$Al and $\text{Cu}$Ge alloy surfaces.     

Electronic structure of Ge-GaAs(111) and (111) interfaces

The interface states of Ge-GaAs(111) and ($\text{111}$) heterojunctions are calculated by applying extended Hückel theory to a superlattice with alternating Ge and GaAs atomic layers. The band-edge discontinuity, interface bands, and local densities of states are presented. It is found that no interface states are revealed in the fundamental gaps of Ge and GaAs and that there is an appreciable difference in electronic structure between both kinds of interface.     

Electronic structure of the (111) and (111) surfaces of GaAs

Inward relaxation effects of the outermost Ga layer on the electronic structure of GaAs (111) Ga and outward expansion effects of the outermost As layer on that of GaAs ($\text{111}$) As are studied by extended Hückel theory. Three different surface geometries are examined for the respective surfaces. It is shown that upon relaxation on GaAs (111) or upon expansion on GaAs ($\text{111}$) new surface states associated with dangling- and back-bonds are revealed. The character and dispersion behaviour of strongly localized surface states are described.     

Oxygen adsorption on Ge(111) surface: I. Atomic clean surface

Oxygen adsorption on a clean Ge(111) surface has been studied in the temperature range 300–560 K by means of Auger electron spectroscopy (AES), thermal desorption (TD), work function (WF) measurements, and electron energy loss spectroscopy (ELS). The adsorption and WF kinetics at 300 K exhibit a shape different from those observed at higher adsorption temperatures. At 300 K oxygen only removes the empty dangling bond surface state, whereas at higher temperature new loss transitions involving chemically shifted Ge 3d core levels appear. The findings imply that at 300 K only a chemisorption oxygen state exists on the Ge(111) surface whereas the formation of an oxide phase requires higher temperatures. The shapes of the TD curves show that the desorption of GeO follows $\text{1}\text{2}$ order desorption kinetics.     

Study of Ag/Si(111) submonolayer interface: I. Electronic structure by angle-resolved UPS

Angle-resolved ultraviolet photoelectron spectra have been measured for well defined Ag/Si(111) submonolayer interfaces of (1) $\text{Si(111)(}\text{3}\text{×}\text{3}\text{)R30°-Ag}$, (2) “Si(111)(6 × 1)-Ag”, and (3) Ag/Si(111) as deposited at room temperature. Non-dispersive and very narrow (FWHM ～ 0.4–0.5 eV) Ag 4d derived peaks are found at 5.6 and 6.5 eV below the Fermi level for surface (1) and at 5.3 and 6.0 eV for surface (2). Dispersions of sp “binding” states in the energy range between E_F and Ag 4d states have been precisely determined for surface (1). Electronic structures similar to those of the Ag(111) surface, including the surface state near E_F, have been observed for surface (3).     

Investigation of surface states on the polar (111) and (111) faces of GaAs by photoelectron spectroscopy

Photoelectron spectra from the clean polar (111) and ($\text{111}$) faces of GaAs show emission from surface states. After exposure to oxygen which produces a covarage of about one monolayer, this emission disappears.     

Structure of the Si(111)−2 × 1 surface with 13 ML Ge coverage

Two different $\text{3}\text{×}\text{3}\text{R30°}$ adatom models for $\text{1}\text{3}$ monolayer Ge coverage of the Si(111)?2 × 1 surface were studied with the Pseudopotential method. Total energy calculations indicate that the T₄ model (adatom above the second layer) is preferable to the H₃ model (adatom above the hollow site)     

Theory of electron states at random alloy surfaces - surface states on Cu-Ni (111)

We present first principles calculations (based on the KKRCPA) of the angle-resolved photocurrent emitted from the (111) surfaces of single crystals of $\text{Cu}$-Ni random alloys, and compare the results with new experimental data. Surface states close to the Fermi level are observed, even for concentrated alloys, and their behaviour as a function of composition and $\text{k}$_∥ is correlated with features in the bulk spectral density. Calculations for alloys with a non-uniform concentration profile at the surface (surface segregation) are described, and the effect on the surface states is discussed.     

On the field penetration into semiconductors in the field ion microscope

The calculation of field penetration in semiconductors and consequent band bending during field ionization/evaporation is discussed. The shielding by surface states is also taken into account. The Si(111) face example demonstrates that neglection of surface states may give unrealistic high band bending values. Because of the lack of reliable data for the density of surface states, a possible maximal band bending has been calculated for GaAs. Its value in the case of an external applied field of $\text{1}\text{V}\text{A}\text{?}$ may be such smaller as formerly assumed in recent works.     

Binding enthalpies and entropies of neutral Zn,In And Sn In Ge

A statistical thermodynamical model is developed for a doubly ionizable acceptor with excited states in an elemental semiconductor. The special cases of a singly ionizable acceptor, no excited acceptor states and a neutral solute are readily extracted. The equations obtained describe not only the distribution of an acceptor among its various electronic states but also the chemical potentials of the acceptor atom and of the solvent atom. The equations are applied, with and without the excited states included, to obtain about equally good fits to the low-temperature, low carrier concentration Hall data for Zn in Ge. For the low impurity concentrations involved, the excited states are present and so should be included in the analysis. The ability to obtain an equally good fit with the excited states omitted is most likely due to the fact that the concentrations of the major Zn impurity and the Sb counter dopant are not fixed independently of the Hall measurements. The additional flexibility obtained by treating these concentrations as adjustable parameters is sufficient to compensate for the error made in neglecting the excited states. In contrast, the solubilities of the acceptors Zn and In are large enough that the excited states should be pushed out of the band gap. Consequently, the equations are applied without the excited states to the experimental chemical potential-solubility data for Zn, In and Sn in Ge to obtain the Gibbs energy, enthalpy and entropy of binding for the neutral (un-ionized) solute at 950 K. With a solute reference phase consisting of an ideal monatomic gas at 0 K, the entropy of binding is close to that for Ge itself, $\text{14.6 cal}\text{K g}$ atom. This implies that, when they are in the neutral state, these substitutional solute atoms behave very much like the Ge atom itself in contributing to the vibrational spectrum. However, the enthalpy of binding varies significantly and is ?3.8, ?39 and ?65 $\text{kcal}\text{g}$ atom for neutral Zn, neutral In and Sn, respectively, compared to $\text{?84 kcal}\text{g}$ atom for Ge.     

On the interaction of cesium with cleaved GaAs(110) and Ge(111) surfaces: Work function measurements and adsorption site model

The work function of UHV cleaved p-Ge(111) and n-GaAs(110) surfaces has been measured in dependence of the Cs coverage. At very low coverages θ < 0.001 the decrease of the contact potential difference is extremely steep. For GaAs the initial slope of the CPD versus coverage curve amounts to ?740 eV for Ge to ?130 eV per monolayer. Up to the saturation coverage the curves exhibit straight line segments with breaks at distinct coverages. Breaks are found for GaAs at approximately $\text{1}\text{12}$, $\text{1}\text{6}$, and $\text{1}\text{3}$ of a monolayer, for Ge at about $\text{1}\text{12}$, $\text{1}\text{4}$, $\text{1}\text{2}$, and $\text{3}\text{4}$. A new model is developed to explain this behaviour. It is based on the assumption of specific adsorption sites for the Cs atoms at the surfaces. With this model the experimental results, including the breaks, may be described in the whole coverage range from θ = 0.03 up to the saturation. Furthermore the dipole moments derived from the straight line segments are in excellent agreement with those values calculated for different surface molecules between the adsorbed cesium and substrate atoms at the specific adsorption sites.     

Electronic structure of the Si (111) reconstructed surface in the vacancy model

The self-consistent pseudopotential method is applied to the Si (111) 7 × 7 reconstructed surface in the vacancy model with a simplified $\text{3}\text{×}\text{3}$ superlattice structure. Numerical results with and without relaxation of surface atoms are presented. It is concluded that the relaxation, if any, is to be much smaller than the atomic distance to explain the photoemission spectrum of the 7 × 7 surface. The importance of the many-body effect is suggested in the photoemission process associated with the dangling bond surface states of Si.     

Raman spectra of two new modifications of germanium: Allo-germanium and 4H-Ge

The Raman spectra of allogermanium and 4H germanium have been measured. Allogermanium shows a band which mimics the density of states of diamond-like Ge(Ge?I). 4H-Ge shows a peak at 287 cm^-1 which can be assigned to an E₂ phonon. This phonon corresponds to a TO-mode of Ge-I at the $\text{(}\text{π}\text{2}\text{a}\text{) (1|1)}$ point of the Brillouin zone.     

Subject index

Field-emission energy distributions from the (100) facet of Ge exhibit a double peak. Comparison of the measured distributions with theory shows that the lower energy peak arises from valence band emission while the higher energy peak represents emission from a band of surface states overlapping the valence band. The field-emission energy distribution from the surface states is a maximum at 0.18 eV above the valence band edge. The surface of the emitter is found to be 4kT degenerate n-type with an applied field of $\text{3 × 10}{}^7\text{V}\text{cm}$. This implies 6.3 × 10¹² surface states/cm² at the center of the clean, annealed (100) facet. The effect of the applied field is to broaden the surface state distribution. The degree of broadening can be accounted for by the Stark effect. Adsorption of contamination from the vacuum system ambient or geometric alteration of the surface from the annealed end form reduces the number of surface states.     

LEED and AES studies of the initial growth of Ge epilayers on GaAs(100)

The initial stages of growth of epitaxial Ge overlayers on the GaAs(100) surface have been studied by LEED and AES on overlayers from 0.1 monolayers (ML) to 10 ML in thickness. It is found that a coverage of about 0.2 ML converts the initial clean surface reconstruction into a single domain (1 × 2) reconstruction with a surface atomic geometry very similar to that of clean Ge. Further growth does not significantly change the arrangement of atoms at the surface. Growth from 1 to 4 ML proceeds by a double layer growth mechanism which maintains the single (1 × 2) domain. Auger measurements indicate that the growing surface has a $\text{1}\text{2}$ ML As enrichment, and that the interface is not abrupt, but has a mixed GeGa or GeAs transition layer.     

Gamma-spectroscopic investigations on 67Ge

By γ-γ coincidence measurements following the ⁵⁷Fe(¹²C, 2nγ) reaction at E_12C = 40 MeV several new states above 1.5 MeV excitation energy in ⁶⁷Ge have been established. Spin and parity assignments on the basis of the angular distribution, linear polarization and γ-ray yield function indicate very similar structures in ^{67, 69}Ge. The positive-parity states can be followed up to the $\text{17}\text{2}{}^{\mathrm{+}}$ state at E_x = 3.07 MeV followed by a sequence of negative-parity high-spin states at nearly the same excitation energy relative to the $\text{9}\text{2}{}^{\mathrm{+}}$ single-particle state as in the neighbouring nucleus ⁶⁹Ge where these states were found to have strong single-particle admixtures. A reinvestigation of the spin of the E_x = 2.75 MeV level in ⁶⁹Ge resulting in a change of its spin from $\text{15}\text{2}{}^{\mathrm{+}}\text{to}\text{17}\text{2}{}^{\mathrm{+}}$ and for all spins above, removed the discrepancy concerning the spin assignments of corresponding levels in ^{67, 69}Ge. The excitation pattern of the Ge isotopes with 34 ≦ N ≦ 39 clearly indicate same structures probably due to the strong competition between collective and single-particle excitations along the whole chain similar to the results for the Zn isotopes.     

Adsorption of sodium and its effect upon some electric properties of clean germanium (111) surfaces

The effect of adsorbed Na on the surface conductivity, Δσ, and surface recombination velocity, S, of a clean (114)Ge surface is studied. The surface conductivity is a complicated function of the surface Na concentration, N_Na; at N_Na ≈ 1.5 × 10¹³ atoms/cm², it has a minimum; at ca. (3–5) × 10¹⁴atoms/cm², it has a maximum. For a monolayer coverage (ca. 7.2 × 10¹⁴atoms/cm²) the values of Δσ are not much different from those of a clean Ge surface. The surface recombination velocity is a three-valued function of the surface potential, U_S (calculated from the Δσ values), depending on the Na overlayer coverage and heat treatment of the sample. Three different surface structures (LEED data) were found to correspond to the three S versus U_S curves reported here. Thermal desorption studies show that Na is desorbed in a wide temperature interval. Two peaks have been isolated, studied and discussed. At low coverages a single peak is found to exist, which obeys the first-order desorption kinetics, with a desorption energy of (52 ± 3)kcal/mol. This peak is attributed to the surface defects. For coverages close to$\text{1}\text{4}$ monolayer a new peak was observed in the spectrum. The desorption energy of this binding state exceeds that of all the other states. When the overlayer coverage is increased, this peak is shifted to higher temperatures, as predicted for a half-order desorption kinetics. By comparing also with LEED data, it may be concluded that this most tightly bound sodium has formed on the Ge(111) surface patches of an ordered structure in which one Na atom is bonded to three Ge atoms.     

The absorption of Ag on Ge(100)-(2 × 1)

The initial stages of interface formation for Ag deposited onto Ge(100)-(2 × 1) were studied with high-energy electron diffraction and high- resolution photoemission. The surface core-level energies for clean Ge(100)-(2 × 1) were not changed with the deposition of about one monolayer of Ag, indicating that there was no chemical reaction or atomic intermixing. The Ag nucleated at a coverage of about $\text{1}\text{3}$ monolayer and showed three-dimensional growth for higher coverages.