Confined Ge–Pt states in self-organized Pt nanowire arrays on Ge(001)

By means of band structure calculations within the density functional theory and the generalized gradient approximation, we investigate the electronic structure of self-organized Pt nanowires on the Ge(001) surface. In particular, we deal with a novel one-dimensional surface state confined in the nanowire array and clarify its origin. Due to large Pt contributions, the novel state is rather a mixed Ge–Pt hybrid state than a confined Ge surface state. Moreover, we compare our results to data from scanning tunneling microscopy.     

Calculated electronic structure of metallic multilayers formed by noble and transition metals

Full-potential Linearized Augmented Plane Wave calculations are performed to investigate the properties of the electronic charge of metallic multilayers formed by non-magnetic and magnetic elements (i.e. Ag, Cu and Fe). The multilayer structure is of the type A_n, A _n B _n or (AB)_n where A, B indicate Ag, Cu and Fe and n is the number of layers of the element A or B. The problem addressed by this study is the transition from the 2D behavior of the isolated monolayer to the 3D bulklike character. Therefore the calculations, carried out at paramagnetic level, illustrate the dependence of the density of states on the multilayer thickness and composition. For the three elements the main feature of the inter-layer coupling is the absence of charge intermixing and hybridization. For structures with a number of layers n? 5 the density of states bandwidth has a decrease, with respect to the bulk value, approximately proportional to the reduced coordination. At the critical thickness n = 5 and above, a noticeable difference exists between the charge in the outer layers, with reduced coordination and bandwidth, and the central layers with a bulklike density of states. Averaging between these contributions leads to the re-installment of bulklike properties. These results are in essential agreement with analytical band theories and quantum mechanical calculations for similar systems and with experiments. Received 3 October 2001     

Transmission resonance via quantum bound states in confined arrays of antidots

We have studied the transmission resonances for a confined array of antidots, using the lattice Green's function method. Two kinds of resonant peaks via quasibound states are found. One kind of resonant peak corresponds to the split quasibound states. The split states originate from the superposition of quasibound states respectively localized in different (T or crossed) junctions, while the number of quasibound states in each junction is associated with the arm-width of the junction. Electrons in these split states are mainly localized in the junctions. The other kind of resonant peaks correspond to the high quasibound states which exist in (transverse and longitude) multi-period confined arrays of antidots. It is interesting to note that electrons in some of the high quasibound states are mainly localized in the intersection of the junctions rather than in the junctions themselves.     

Aluminum thickness dependence of resistance change in spin tunneling junctions Co/Al-oxide/Co

The oxidation states of Al-oxide layer and the leakage current density in coercive differential spin tunneling junctions Co/Al-oxide/Co have been investigated in order to clear the mechanism of the increasing resistance change. X-ray photoelectron spectroscopy analysis shows that the resistance change increases with decreasing unoxidized Al, which can be qualitatively explained by using first-principle band calculation based on linear-muffin-tin-orbital atomic-sphere-approximation method. The resistance change decreases with increasing leakage current density, which originates from Schottky effect. Reduction of unoxidized Al and leakage current density originating from Schottky effect is required to obtain the large resistance change in spin tunneling junctions.     

Size-dependent surface states of strained cobalt nanoislands on Cu(111)

Low-temperature scanning tunneling spectroscopy over Co nanoislands on Cu(111) showed that the surface states of the islands vary with their size. Occupied states exhibit a sizable downward energy shift as the island size decreases. The position of the occupied states also significantly changes across the islands. Atomic-scale simulations and ab initio calculations demonstrate that the driving force for the observed shift is related to size-dependent mesoscopic relaxations in the nanoislands.     

Magneto-electronic properties of the AA- and ABC-stacked graphites

In this study, we apply the tight-binding method to magneto-electronic properties of the AA- and ABC-stacked graphites, which are strongly dependent on the interlayer interactions, the magnetic field, and the stacking sequences. First of all, the interlayer interactions induce the significant changes in the energy dispersions, the band symmetry about the Fermi level, the overlap between valence and conduction bands, the band width, and the band-edge states or the symmetry points. Then, the magnetic field induces the Peierls phase in the Bloch functions and thus strongly affects the energy dispersions of the Landau Levels, the subband spacings, the energy width, and the special structures in density of states (DOS). Finally, the stacking sequences dominates over the low-energy band overlap and the anisotropy of energy bands. The effects mentioned above are exactly reflected in the density of state. Here, DOS exhibits the 3D, 2D, and 1D characteristics.     

Understanding of surface states in a correlated electron system

The aim of this work is to find a simple analytic model to explain some principal aspects of the behavior of surface states in correlated electron systems. We start from the analytic expression for the Green function of the semi-infinite tight binding linear chain. This Green function in case of modification of the center of gravity of the first atom and the change in coupling between the first and the second atom is evaluated as an exact analytic expression. Conditions for the existence and classification of surface states are given. The spectral weight of surface states and the local density of states are evaluated. The method is applied to a s.c. (100) surface of a local moment crystal. Conditions for the existence of surface states are derived and their locations in the Brillouin zone are predicted. It is shown that it is possible to include correlation effects within the framework of the discussed model. The comparison with former numerical results is performed. Received 8 March 2000     

On the origin of surface states in a correlated local-moment film

The electronic quasiparticle structure of a ferromagnetic local moment film is investigated within the framework of the s-f model. For the special case of a single electron in an otherwise empty energy band being exchange coupled to a fully ordered localised spin system the problem can be solved exactly and, for the spin- electron, some marked correlation effects can be found. We extend our model to incorporate the influence of the surface on the electronic structure. Therefore we modify the hopping integrals in the vicinity of the surface. This leads to the existence of surface states, both for the spin- and the spin- spectral density of states. The interplay between the modification of the hopping integrals and the existence of surface states and correlation effects is discussed in detail. Received: 22 September 1997 / Revised: 12 December 1997 / Accepted: 15 December 1997     

Resonant enhancement of charge transfer through surface states

A model is proposed that treats electrons at surfaces as a combination of two-dimensional and three-dimensional degrees of freedom. This yields a simple formula for the surface state induced resonant enhancement of the transfer of electrons through a surface. The model also yields analytic approximations for the transition between two-dimensional and three-dimensional distance laws in the correlations between electrons in surface states. Received 6 August 2002 Published online 31 October 2002 RID="a" ID="a"e-mail: rainer@sask.usask.ca     

Influence of correlation and temperature on the electronic structure of bulk and thin film GdN

The influence of correlation and temperature on the electronic structure of bulk and thin film GdN has been studied using the s-f model, which combines the one electron band structure with a many body procedure. The tight binding linear muffin tin orbital (TB-LMTO) method was used to obtain the one electron band structure of the system. The s-f exchange coupling constants for each band were obtained from the spin polarized band structure of the system using a mean field model. Correlation effects are found to be present in the system. However they are not sufficiently strong to cause a correlation induced splitting in the spectrum. Some bands of the thin films of GdN exhibit splitting at T=T_c and it is due to the combined effect of correlation and temperature. The conduction bands of both the bulk and the thin films of GdN exhibit a red shift with respect to temperature.     

Equilibrium shape and size of supported heteroepitaxial nanoislands

We study the equilibrium shape, shape transitions and optimal size of strained heteroepitaxial nanoislands with a two-dimensional atomistic model using simply adjustable interatomic pair potentials. We map out the global phase diagram as a function of substrate-adsorbate misfit and interaction. This phase diagram reveals all the phases corresponding to different well-known growth modes. In particular, for large enough misfits and attractive substrate there is a Stranski-Krastanow regime, where nano-sized islands grow on top of wetting films. We analyze the various terms contributing to the total island energy in detail, and show how the competition between them leads to the optimal shape and size of the islands. Finally, we also develop an analytic interpolation formula for the various contributions to the total energy of strained nanoislands.     

Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices

Epitaxial Co/Mn multilayers (0.75 to 6 nm Co, 0.4 nm Mn layer thickness) have been grown on mica substrates covered by a (0002) Ru buffer layer. The structural properties of these layers have been studied using X-ray diffraction, nuclear magnetic resonance (NMR), and high resolution transmission electron microscopy (HRTEM). The Co layers, grown as face centred cubic (fcc), were found to be stabilised by the very thin Mn layers. Data obtained using X-ray diffraction and NMR were analysed and found to be in good agreement, while Monte-Carlo simulations were used to interpret the data and calculate the expected diffracted intensity and NMR spectra. The HRTEM data show that the Mn layers give rise to a large strain contrast extending, in the growth direction, over a distance which exceeds the thickness of the Mn layers. The superlattices could be described as having an fcc structure containing randomly located stacking faults with varying densities. The results verify the presence of a dominant, almost perfect phase of fcc stacking, and of a faulted hcp phase, while the number of defects increases with the Co layer thickness. Received 27 October 1999 and Received in final form 29 May 2000     

Influence of high energy electron irradiation on the characteristics of polysilicon thin film transistors

The influence of high energy electron (23 MeV) irradiation on the electrical characteristics of p-channel polysilicon thin film transistors (PSTFTs) was studied. The channel 220 nm thick LPCVD (low pressure chemical vapor deposition) deposited polysilicon layer was phosphorus doped by ion implantation. A 45 nm thick, thermally grown, SiO2 layer served as gate dielectric. A self-alignment technology for boron doping of the source and drain regions was used. 200 nm thick polysilicon film was deposited as a gate electrode. The obtained p-channel PSTFTs were irradiated with different high energy electron doses. Leakage currents through the gate oxide and transfer characteristics of the transistors were measured. A software model describing the field enhancement and the non-uniform current distribution at textured polysilicon/oxide interface was developed. In order to assess the irradiation-stimulated changes of gate oxide parameters the gate oxide tunneling conduction and transistor characteristics were studied. At MeV dose of 6×10¹³ el/cm², a negligible degradation of the transistor properties was found. A significant deterioration of the electrical properties of PSTFTs at MeV irradiation dose of 3×10¹⁴ el/cm² was observed.     

Electronic properties of (Co, Ag) self-organized nano dots on Au(1 1 1) vicinal surfaces

Electronic properties of (Ag, Co) nanostructures grown on Au(1 1 1) vicinal surfaces have been studied by angle resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy and spectroscopy (STM/STS). The growth and self-assembling of Co and Ag nano dots on Au(7 8 8) surface are described. Co island growth leads to the formation of repulsive energy barriers for the surface state, and subsequently to the appearance of confined states in between each group of four Co dots. On the contrary, when Ag nano dots are grown, the potential barrier for the surface electrons is not enough to suppress their dispersive behavior. Nevertheless, inside Ag islands appear new quantized states whose energies can be tailored by varying the deposition rate of the adsorbate and/or the Miller index of the vicinal surfaces. In both systems, high homogeneity of the electronic properties is achieved over a macroscopic scale.     

Magnetic field dependence of electronic structures in a single and double quantum dots by 3D-MHFKS calculation

The 3-dimensional Mesh-Hartree-Fock-Kohn-Sham (3D-MHFKS) calculation is applied to study the magnetic (B-) field dependence of the electronic structures of circular-shaped vertical quantum dot (Q-dot) with electron number (N) in double barrier structure (DBS) and also coupled double Q-dots in triple barrier structure (TBS). One of the advantageous points of the 3D-MHFKS calculation is that the strength of coupling between two dots are explicitly evaluated by introducing the realistic barrier in TBS as a straightforward extension of 3D-MHFKS calculation of the single Q-dot in DBS. The calculated chemical potentials represented in B-N phase diagram are consistently and systematically discussed by showing the B-field dependence of the occupied single particle energy levels from the view point how the electronic states transfer sequentially from Fock-Darwin (FD) to lowest Landau (LL) and from LL to the spin flip (SF) and from SF to spin-polarized maximum density droplet (MDD) domains as increasing B-field in the Q-dots.     

新型超导材料MgCNi3的电子结构与超导电性研究

用MS-Xα方法研究了非氧化物超导材料MgCNi₃的电子结构. 研究结果显示, 态密度分布曲线的主峰靠近Fermi面, 主要来自于Ni的d电子的贡献. 用T(T=Co，Mn，Cu)替代MgCNi₃中的部分Ni形成化合物MgCNi₂T，替代使Ni的价电子数减小, 价态发生变化, Fermi面处态密度N(E_F)减小. 计算结果表明：无论是电子掺杂（Cu）还是空穴掺杂（Co，Mn），MgCNi₃的超导电 关键词： 电子结构 态密度 超导电性     

Local triboelectricity on oxide surfaces

In triboelectric phenomena, electric charges are transferred when two materials are touched or rubbed together. We present in this paper a study of this effect performed on metallic oxides at the nanometric scale by an Atomic Force Microscope in the resonant mode. We show that following the electrification processes, positive or negative charges can be deposited. From our experimental data, we conclude that the charge transfer results in an equilibrium final state, the occupied states in the gap being “surface states” with large density and spread under the surface along a characteristic distance of about 100 nm. Received 18 March 1998 and Received in final form 8 July 1998     

Electron transmission through organized organic thin films studied by discrete initial electron kinetic energies

Synchrotron radiation (SR) pulses are used to eject electrons from a gold substrate covered with organized organic thin films (OOTF) in order to investigate their transmission probability through the OOTF as a function of the electron initial kinetic energy. By variation of the SR photon energy within a few eV above the Au-4f binding energy levels we controlled the initial kinetic energy of the substrate electrons. The observed oscillations in the transmission probability for porphyrin-based films as a function of the kinetic energy is argued to be due to effects of band structure above the vacuum level in the well-ordered molecular adsorbate. We also present valence photoemission spectra (PES) of different type OOTF and demonstrate how their coverage of the substrate affects the PES. Received 24 July 1998