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1.
We have investigated the temperature dependence of angle resolved photoelectron spectroscopy for the lateral quantum well states (QWS) on the striped Cu(1 1 0)(2 × 1)O surface. For the striped surface with oxygen coverage of 0.25 ML, we have successfully observed two discrete levels along a perpendicular direction to the stripes in the surface Brillouin zone, which is generated by quantization of the Shockley surface state. We have found that the relative photoelectron intensity of the two discrete levels depends on the temperature. The photoelectron intensity tends to concentrate on the ground level of the QWS with decreasing temperature. Our investigation indicates that the electron population of each quantum well level depends on the temperature.  相似文献   

2.
We present a comprehensive picture of structural and electronic properties of the TiC(0 0 1)(1 × 1) surface. Our investigations are based on first-principles calculations within the local-density approximation of the density-functional theory. Good agreement has been observed between our calculation and experimental data for the atomic geometry of the surface. In particular, the calculated bond lengths between the first-layer C and the second-layer Ti (d1C-2Ti = 2.188 Å) and between the first-layer Ti and the second-layer C (d1Ti-2C = 2.031 Å) are in good agreement with the corresponding experimental values of 2.25 Å and 2.14 Å, respectively. We have also identified surface electronic states and provided clear support for previously available photoemission measurements. We have further calculated surface phonon modes at the zone centre and at the zone-edge point X using a linear response scheme based on the ab initio pseudopotential method. Our calculated surface phonon results are in excellent agreement with electron energy loss spectroscopy results.  相似文献   

3.
The characteristic energy band values such as the Fermi-level position with respect to valence band top for a boron-doped p-type hydrogen-terminated chemical-vapor-deposition (CVD) diamond (0 0 1)2 × 1 surface and for a clean CVD diamond (0 0 1)2 × 1 surface have been determined by a new method with an accuracy of ±0.02 eV. The electron attenuation length for the clean diamond (0 0 1)2 × 1 surface for the electron kinetic energy of C 1s X-ray photoemission peak by Mg Kα excitation is experimentally determined to be 2.1-2.2 nm. These values are compared and discussed with the previously reported experimental and simulation values.  相似文献   

4.
Monolayer Ga adsorption on Si surfaces has been studied with the aim of forming p-delta doped nanostructures. Ga surface phases on Si can be nitrided by N2+ ion bombardment to form GaN nanostructures with exotic electron confinement properties for novel optoelectronic devices. In this study, we report the adsorption of Ga in the submonolayer regime on 7 × 7 reconstructed Si(1 1 1) surface at room temperature, under controlled ultrahigh vacuum conditions. We use in-situ Auger electron spectroscopy, electron energy loss spectroscopy and low energy electron diffraction to monitor the growth and determine the properties. We observe that Ga grows in the Stranski-Krastanov growth mode, where islands begin to form on two flat monolayers. The variation in the dangling bond density is observed during the interface evolution by monitoring the Si (LVV) line shape. The Ga adsorbed system is subjected to thermal annealing and the residual thermal desorption studied. The difference in the adsorption kinetics and desorption dynamics on the surface morphology is explained in terms of strain relaxation routes and bonding configurations. Due to the presence of an energetic hierarchy of residence sites of adatoms, site we also plot a 2D phase diagram consisting of several surface phases. Our EELS results show that the electronic properties of the surface phases are unique to their respective structural arrangement.  相似文献   

5.
S. Funk 《Applied Surface Science》2007,253(17):7108-7114
We attempt to correlate qualitatively the surface structure with the chemical activity for a metal surface, Cr(1 1 0), and one of its surface oxides, Cr2O3(0 0 0 1)/Cr(1 1 0). The kinetics and dynamics of CO2 adsorption have been studied by low energy electron diffraction (LEED), Aug er electron spectroscopy (AES), and thermal desorption spectroscopy (TDS), as well as adsorption probability measurements conducted for impact energies of Ei = 0.1-1.1 eV and adsorption temperatures of Ts = 92-135 K. The Cr(1 1 0) surface is characterized by a square shaped LEED pattern, contamination free Cr AES, and a single dominant TDS peak (binding energy Ed = 33.3 kJ/mol, first order pre-exponential 1 × 1013 s−1). The oxide exhibits a hexagonal shaped LEED pattern, Cr AES with an additional O-line, and two TDS peaks (Ed = 39.5 and 30.5 kJ/mol). The initial adsorption probability, S0, is independent of Ts for both systems and decreases exponentially from 0.69 to 0.22 for Cr(1 1 0) with increasing Ei, with S0 smaller by ∼0.15 for the surface oxide. The coverage dependence of the adsorption probability, S(Θ), at low Ei is approx. independent of coverage (Kisliuk-shape) and increases initially at large Ei with coverage (adsorbate-assisted adsorption). CO2 physisorbs on both systems and the adsorption is non-activated and precursor mediated. Monte Carlo simulations (MCS) have been used to parameterize the beam scattering data. The coverage dependence of Ed has been obtained by means of a Redhead analysis of the TDS curves.  相似文献   

6.
Structure and energy related properties of neutral and charged vacancies on relaxed diamond (1 0 0) (2 × 1) surface were investigated by means of density functional theory. Calculations indicate that the diffusion of a single vacancy from the top surface layer to the second layer is not energetically favored. Analysis of energies in charged system shows that neutral state is most stable on diamond (1 0 0) (2 × 1) surface. The multiplicity of possible states can exist on diamond (1 0 0) surface in dependence on the surface Fermi level, which supports that surface diffusion of a vacancy is mediated by the change of vacancy charge states. Analysis of density of states shows surface vacancy can be effectively measured by photoelectricity technology.  相似文献   

7.
High-resolution angle-resolved photoemission spectroscopy (ARPES) has been conducted to study the Shockley state (SS) in ferromagnetic Ni(1 1 1) located at the point of the surface Brillouin zone. We have determined the Fermi wave vector and Fermi energy of the state with excitation photon energies of  = 6.9-27.5 eV. On the basis of ARPES spectral shape analyses, we have found significant electron-electron interaction in the SS.  相似文献   

8.
Growth and surface morphology of epitaxial Fe(1 1 0)/MgO(1 1 1)/Fe(1 1 0) trilayers constituting a magnetic tunnel junction were investigated by low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). STM reveals a grain-like growth mode of MgO on Fe(1 1 0) resulting in dense MgO(1 1 1) films at room temperature as well as at 250 °C. As observed by STM, initial deposition of MgO leads to a partial oxidation of the Fe(1 1 0) surface which is confirmed by Auger electron spectroscopy. The top Fe layer deposited on MgO(1 1 1) at room temperature is relatively rough consisting of clusters which can be transformed by annealing to an atomically flat epitaxial Fe(1 1 0) film.  相似文献   

9.
M.N. Read  Q.Y. Qiu 《Surface science》2007,601(24):5779-5782
We have used the layer KKR method to calculate the Shockley and Rydberg surface states and resonances for Cu(1 1 0) for a given model of the surface potentials. This method has not been used before to predict all of the surface band structure for the energy range from the bottom of the conduction band to ∼7 eV above the vacuum level. The previous methods that used only local electron interactions in ab initio calculations could not produce the Rydberg surface barrier bands while those relying on nearly-free-electron parameterisation of bands could not deal with d-bands.  相似文献   

10.
The growth of Pb films on the Si(1 0 0)-2 × 1 surface has been investigated at low temperature using scanning tunneling microscopy. Although the orientation of the substrate is (1 0 0), flat-top Pb islands with (1 1 1) surface can be observed. The island thickness is confined within four to nine atomic layers at low coverage. Among these islands, those with a thickness of six layers are most abundant. Quantum-well states in Pb(1 1 1) islands of different thickness are acquired by scanning tunneling spectroscopy. They are found to be identical to those taken on the Pb(1 1 1) islands grown on the Si(1 1 1)7 × 7 surface. Besides Pb(1 1 1) islands, two additional types of Pb islands are formed: rectangular flat-top Pb(1 0 0) islands and rectangular three-dimensional (3D) Pb islands, and both their orientations rotate by 90° from a terrace to the adjacent one. This phenomenon implies that the structures of Pb(1 0 0) and 3D islands are influenced by the Si(1 0 0)-2 × 1 substrate.  相似文献   

11.
In this work we have performed total-energy calculations on the geometric structure and adsorption properties of Cu(1 0 0) c(2 × 2)/N surface by using the density-functional theory and the projector-augmented wave method. It is concluded that nitrogen atom was adsorbed on a FFH site with a vertical distance of 0.2 Å towards from surface Cu layer. The bond length of the shortest Cu-N bonding is calculated to be 1.83 Å. Geometry optimization calculations exclude out the possibilities of adsorbate induced reconstruction mode suggested by Driver and Woodruff and the atop structural model. The calculated workfunction for this absorbate-adsorbent system is 4.63 eV which is quite close to that of a clean Cu(1 0 0) surface. The total-energy calculations showed that the average adsorption energy per nitrogen in the case of Cu(1 0 0) c(2 × 2)-N is about 4.88 eV with respect to an isolated N atom. The absorption of nitrogen on Cu(1 0 0) surface yields the hybridization between surface Cu atoms and N, and generates the localized surface states at −1.0 eV relative to Fermi energy EF. The stretch mode of the adsorbed nitrogen at FFH site is about 30.8 meV. The present study provides a strong criterion to account for the local surface geometry in Cu(1 0 0) c(2 × 2)/N surface.  相似文献   

12.
Jisang Hong 《Surface science》2006,600(11):2323-2328
Based on the full-potential linearized augmented plane wave (FLAPW) calculations, various magnetic properties of ultra thin face centered cubic (fcc) Co(0 0 1) film and V adsorbed systems on Co(0 0 1) surface are explored. It was found that the V film grown on fcc Co(0 0 1) surface has large induced magnetic moment and the direction of magnetization is antiparallel to that of Co atom in the submonolayer coverage. Very interestingly, we found that the surface alloy and 0.5 ML adsorbed V/Co(0 0 1) systems have perpendicular magnetocrystalline anisotropy and the magnitude of anisotropy energy in 0.5 ML V on fcc Co(0 0 1) surface is greatly larger than that of surface alloy, while we observed in-plane magnetization in pure fcc Co(0 0 1) film. It was found that the spin-orbit interaction through spin-flip process cannot be ignored, therefore the simple relation with orbital anisotropy is not applicable in the interpretation of magnetocrystalline anisotropy.  相似文献   

13.
Supersonic molecular beam technique combined with high resolution X-ray photoelectron spectroscopy using synchrotron radiation was applied to the study of the dynamics of dissociative adsorption of oxygen on Ru(0 0 0 1) surface in high coverage region. The Ru(0 0 0 1) surface pre-covered with oxygen atoms of 0.5 monolayer, which corresponds to the p(2 × 1)-O structure, was dosed to oxygen molecules with translational energy of 0.5 eV. Oxygen uptake was compared between the cases with and without the beam source heated in order to verify the effects of internal energy of oxygen. We found drastic enhancement in initial sticking probability of oxygen when the beam source was heated to 1400 K. We concluded that the enhancement of sticking probability is mainly caused by molecular vibrational excitation, indicating that dissociation barrier is located in the exit channel on potential energy surface.  相似文献   

14.
A study of surface and interface properties of reconstructed Au-SiC(0 0 0 1) surfaces is reported. Two reconstructions were prepared on SiC(0 0 0 1), a √3 × √3R30° and a Si-rich 3 × 3, before Au deposition and subsequent annealing at different temperatures. For the Si-rich 3 × 3 surface the existence of three stable reconstructions 2√3 × 2√3R30°, 3 × 3 and 5 × 5 are revealed after deposition of Au layers, 4-8 Å thick, and annealing at progressively higher temperatures between 500 and 950 °C. For the 2√3 surface two surface shifted Si 2p components are revealed and the Au 4f spectra clearly indicate silicide formation. The variation in relative intensity for the different core level components with photon energy suggests formation of an ordered silicide layer with some excess Si on top. Similar core level spectra and variations in relative intensity with photon energy are obtained for the 3 × 3 and 5 × 5 phases but the amount of excess Si on top is observed to be smaller and an additional weak Si 2p component becomes discernable.For the √3 surface the evolution of the core level spectra after Au deposition and annealing is shown to be distinctly different than for the Si-rich 3 × 3 surface and only one stable reconstruction, a 3 × 3 phase, is observed at similar annealing temperatures.  相似文献   

15.
V2O3(0 0 0 1) films have been grown epitaxially on Au(1 1 1) and W(1 1 0). Under typical UHV conditions these films are terminated by a layer of vanadyl groups as has been shown previously [A.-C. Dupuis, M. Abu Haija, B. Richter, H. Kuhlenbeck, H.-J. Freund, V2O3(0 0 0 1) on Au(1 1 1) and W(1 1 0): growth, termination and electronic structure, Surf. Sci. 539 (2003) 99]. Electron irradiation may remove the oxygen atoms of this layer. H2O adsorption on the vanadyl terminated surface and on the reduced surface has been studied with thermal desorption spectroscopy (TDS), vibrational spectroscopy (IRAS) and electron spectroscopy (XPS) using light from the BESSY II electron storage ring in Berlin. It is shown that water molecules interact only weakly with the vanadyl terminated surface: water is adsorbed molecularly and desorbs below room temperature. On the reduced surface water partially dissociates and forms a layer of hydroxyl groups which may be detected on the surface up to T ∼ 600 K. Below ∼330 K also co-adsorbed molecular water is detected. The water dissociation products desorb as molecular water which means that they recombine before desorption. No sign of surface re-oxidation could be detected after desorption, indicating that the dissociation products desorb completely.  相似文献   

16.
The diamond (1 0 0) surface with amino terminations is investigated based on density function theory within the generalized gradient approximation. Our calculated negative electron affinity of diamond (1 0 0) surface with hydrogen termination provides a necessary condition for initiating radical reaction. The results display that the ammonia molecule can form stable C-N covalent bonds on the diamond surface. In addition, due to the lower adsorption energy of one amino group binding on diamond surface, single amino group (SAG) model is easy to be realized in experiment with the comparison of double amino group (DAG) model. The adsorbed ammonia molecule will induce acceptor-like gap states with little change of the valence and conduction band of diamond in SAG model. The adsorption mechanism in the formation of ammonia monolayer on H-terminated diamond (1 0 0) surface, and two possible adsorption structures (SAG and DAG) were especially studied.  相似文献   

17.
An initial oxidation dynamics of 4H-SiC(0 0 0 1)-(√3 × √3)R30° surface has been studied using high resolution X-ray photoelectron spectroscopy and supersonic molecular beams. Clean 4H-SiC(0 0 0 1)-(√3 × √3)R30° surface was exposed to oxygen molecules with translational energy of 0.5 eV at 300 K. In the first step of initial oxidation, oxygen molecules are immediately dissociated and atomic oxygens are inserted into Si-Si back bonds to form stable oxide species. At this stage, drastic increase in growth rate of stable oxide species by heating molecular beam source to 1400 K was found. We concluded that this increase in growth rate of stable oxide is mainly caused by molecular vibrational excitation. It suggests that the dissociation barrier is located in the exit channel on potential energy hypersurface. A metastable molecular oxygen species was found to be adsorbed on a Si-adatom that has two oxygen atoms inserted into the back bonds. The adsorption of the metastable species is neither enhanced nor suppressed by molecular vibrational excitation.  相似文献   

18.
The adsorption properties of CO on the epitaxial five-monolayer Co/Cu(1 0 0) system, where the Co overlayer has stabilized in the metastable fcc-phase, are reported. This system is known to exhibit metallic quantum well (MQW) states at energies 1 eV or greater above the Fermi level, which may influence CO adsorption. The CO/fcc-Co/Cu(1 0 0) system was explored with low energy electron diffraction (LEED), inverse photoemission (IPE), reflection-absorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD). Upon CO adsorption, a new feature is observed in IPE at 4.4 eV above EF and is interpreted as the CO 2π level. When adsorbed at room temperature, TPD exhibits a CO desorption peak at ∼355 K, while low temperature adsorption reveals additional binding configurations with TPD features at ∼220 K and ∼265 K. These TPD peak temperatures are correlated with different C-O stretch vibrational frequencies observed in the IR spectra. The adsorption properties of this surface are compared to those of the surfaces of single crystal hcp-Co, as well as other metastable thin film systems.  相似文献   

19.
We have studied the growth of Ag on Ge/Si(1 1 1) substrates. The Ge/Si(1 1 1) substrates were prepared by depositing one monolayer (ML) of Ge on Si(1 1 1)-(7 × 7) surfaces. Following Ge deposition the reflection high energy electron diffraction (RHEED) pattern changed to a (1 × 1) pattern. Ge as well as Ag deposition was carried out at 550 °C. Ag deposition on Ge/Si(1 1 1) substrates up to 10 ML has shown a prominent (√3 × √3)-R30° RHEED pattern along with a streak structure from Ag(1 1 1) surface. Scanning electron microscopy (SEM) shows the formation of Ag islands along with a large fraction of open area, which presumably has the Ag-induced (√3 × √3)-R30° structure on the Ge/Si(1 1 1) surface. X-ray diffraction (XRD) experiments show the presence of only (1 1 1) peak of Ag indicating epitaxial growth of Ag on Ge/Si(1 1 1) surfaces. The possibility of growing a strain-tuned (tensile to compressive) Ag(1 1 1) layer on Ge/Si(1 1 1) substrates is discussed.  相似文献   

20.
The adsorption of NH3 molecule on the Si(1 1 1)-7 × 7 surface modelled with a cluster has been studied using density functional theory (DFT). The results indicate the existence of a precursor state for the non-dissociative chemisorption. The active site for the molecular chemisorption is the adatom; while the NH3 molecule adsorbs on the Si restatom via this preadsorbed state, the adsorption on the Si adatom is produced practically without an energy barrier. The ammonia adsorption on the adatom induces an electron transfer from the dangling bond of this atom to the dangling bond of the adjacent Si restatom, hindering this site for the adsorption of a second NH3 incoming molecule. However, this second molecule links strongly by means of two H-bonds. The dissociative chemisorption process was studied considering one and two ammonia molecules. For the dissociation of a lonely NH3 molecule an energy barrier of ∼0.3 eV was calculated, yielding NH2 on the adatom and H on the restatom. When two molecules are adsorbed, the NH3-NH3 interaction yields the weakening of a N-H bond of the ammonia molecule adsorbed closer the Si surface. As a consequence, the dissociation barrier practically disappears. Thus, the presence of a second NH3 molecule at the adatom-restatom pair of the Si(1 1 1)-7 × 7 surface makes the dissociative reaction self-assisted, the total adsorption process elapsing with a negligible activation barrier (less than 0.01 eV).  相似文献   

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