硅(001)图形衬底上锗硅纳米线的定位生长

纳米线的定位生长是实现纳米线量子器件寻址和集成的前提.结合自上而下的纳米加工和自下而上的自组装技术,通过分子束外延生长方法,在具有周期性凹槽结构的硅(001)图形衬底上首先低温生长硅锗薄膜然后升温退火,实现了有序锗硅纳米线在凹槽中的定位生长,锗硅纳米线的表面晶面为(105)晶面.详细研究了退火温度、硅锗的比例及图形周期对纳米线形成与否,以及纳米线尺寸的影响.     

Atomic structure of a (2 x 1) reconstructed NiSi2/Si(001) interface

Nickel disilicide/silicon (001) interfaces were investigated by aberration corrected scanning transmission electron microscopy (STEM). The atomic structure was derived directly from the high spatial resolution high angle annular dark field STEM images without recourse to image simulation. It comprises fivefold coordinated silicon and sevenfold coordinated nickel sites at the interface and shows a 2 x 1 reconstruction. The proposed structure has not been experimentally observed before but has been recently predicted theoretically by others to be energetically favored.     

Atomic and electronic structure of the Si(001) surface induced by hydrogen-adsorption

The initial stage of hydrogen (H) adsorption on the Si(001) surface is theoretically investigated to clarify the atomic and electronic structure induced by the adsorption. For this purpose, the electronic states are calculated in the density functional approach with the DV(discretized variation)-Xα-LCAO method. We also simulate the scanning tunneling microscopy (STM) image and the scanning tunneling spectroscopy (STS) spectrum in the first-principles approach. Our results of the STM image do not support the asymmetric dimer structure of the substrate with a H atom bonded to the upper Si atom. They conclude that the bright ball-like spot in the observed images comes from the free dangling bond induced on the remaining Si atom of the reacted dimer. However, the single particle picture cannot reproduce the observed features of the STS spectrum at the spot. We discuss that all the features can be well explained by the Coulomb blockade effect due to the electron correlation in the dangling bond state.     

Second-harmonic spectroscopy of Ge/Si(001) and Si1-xGex(001)/Si(001)

0.9 Ge_0.1(001)/Si(001) films with SH photon energies 3.1<2hν<3.5 eV near the bulk E₁ critical point of Si(001) or Si_0.9Ge_0.1(001). Ge was deposited on Si(001) by using atomic layer epitaxy cycles with GeH₄ or Ge₂H₆ deposition at 410 K followed by hydrogen desorption. As Ge coverage increased from 0 to 2 monolayers the SH signal increased uniformly by a factor of seven with no detectable shift in the silicon E₁ resonant peak position. SH signals from Si_0.9Ge_0.1(001)/Si(001) were also stronger than those from intrinsic Si(001). Hydrogen termination of the Si_0.9Ge_0.1(001) and Ge/Si(001) surfaces strongly quenched the SH signals, which is similar to the reported trend on H/Si(001). We attribute the stronger signals from Ge-containingsurfaces to the stronger SH polarizability of asymmetric Ge-Si and Ge-Ge dimers compared to Si-Si dimers. Hydrogen termination symmetrizes all dimers, thus quenching the SH polarizability of all of the surfaces investigated. Received: 13 October 1998 / Revised version: 18 January 1999     

Si衬底上生长的MnSi薄膜和MnSi1．7纳米线的STM和XPS分析

本文采用分子束外延方法制备出MnSi薄膜和MnSi1．7纳米线,利用扫描隧道显微镜进行观察,采用X射线光电子能谱仪系统地分析了MnSi薄膜和MnSi1．7纳米线的Mn2p和Si2p．结果表明厚度为-0．9nm的MnSi薄膜表面为／3×／3重构,MnSi1．7纳米线长50ff--1500nm,宽16—18nm,高-3nm．MnSi薄膜的Mn2p1／2和Mn2p3／2峰位与MnSil．7纳米线相同,均分别为649．7eV和638．7ev结合能在640-645eV和-653．8eV处的锰氧化合物的Mn2ps／2和Mn2p1／2峰证明在短暂暴露于空气中后MnSi薄膜和MnSi1．7纳米线表面有氧化层形成．相对于纯si的si2p谱,两种锰硅化合物的Si2p谱向低结合能方向发生了位移,表明随着锰硅化合物的形成Si的化学环境发生了变化．     

Controlling the width of self-assembled dysprosium silicide nanowires on the Si(001) surface

We present STM data that show that it is possible to use a metal induced 2 × 7 reconstruction of Si(001) to narrow the width distribution of Dy silicide nanowires. This behavior is distinct from the effect of the 7 × 7 reconstruction on the Si(111) surface, where the 7 × 7 serves as a static template and the deposited metal avoids the unit cell boundaries on the substrate. In this case, the 2 × 7 is a dynamic template, and the nanowires nucleate at anti-phase boundaries between 2 × 7 reconstruction domains.     

Surface electromigration of metals on Si(001): In/Si(001)

The possibility of surface electromigration (SE) of metals of In, Ga, Sb and Ag on a very flat Si(001)2×1 substrate (single domain 2×1) was examined by SEM, μ-RHEED and μ-AES under UHV conditions. It was found that Ga, Sb and Ag show no SE on Si(001) surface even at DC annealing temperatures for the desorption of these metals. For In on Si(001), a very fast SE (8000 μm/min) towards the cathode side was found that suddenly sets in at 450°C DC annealing, which was related to a surface phase transition. μ-RHEED and μ-AES observation showed that the SE is related to an ordered 4×3-In phase together with two-dimensional In gas phase over the 4×3-In phase and an In-disordered phase at the front end of SE. Single domain 4×3-In phases were found to occur under sequences of In deposition and DC annealing which involve the In SE on Si(001).     

Relativistic electronic structure of the Pb (001) surface

The surface electronic band structure of the Pb (001) was calculated using the self-consistent, first-principles linear-augmented-plane-wave method and the norm-conserving pseudopotentiai method. In the nonrelativistic case, forbidden gaps appear above and below the Fermi levelin the bulk projected band structure of lead. An occupied surface state at the point and two surface states in a wide forbidden gap above E_F are found. A characteristic feature of the electronic structure of the Pb (001) surface is the absence of a surface state within the forbidden S-P gap in the vicinity of the point. The inclusion of scalar-relativistic effects leads to the merger of several S-P gaps into one wide gap extending throughout the entire Brillouin zone. At the same time, the occupied state at point extends to point and its energy decreases by 2 eV. New, relatively weak surface states in the direction and unoccupied states in the vicinity of the point appear. An unoccupied surface state is found at the bottom of the forbidden gap at point . Including the contribution of the spinorbit pseudopotentiai leads to the appearance of two-spin orbit gas; however, the surface level structure is practically unchanged (except for the disappearance of the unoccupied surface state of P_z-symmetry at point ).Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 47–53, October, 1991.     

Atomic and electronic structures of carbon nanotubes on Si(001) stepped surfaces

We report first-principles total-energy calculations that provide energetics and electronic structures of adsorbed carbon nanotubes (CNTs) on stepped Si(001) surfaces. We find that adsorption energies strongly depend on the directions of CNTs, and that there are several metastable adsorption sites both on terraces and near step edges. We also find that the electronic structure of adsorbed metallic CNTs becomes semiconducting or remains metallic, depending on the adsorption site. Charge redistribution upon adsorption is prominent mainly at the CNT-surface interface.     

Atomic and electronic origins of a type- C defect on Si(001)

We present an extensive set of ab initio calculations for a type- C defect on Si(001). Various models belonging to subsurface defects are studied. A substitutional B in the second surface layer is predicted as a possible atomic origin of this defect. However, H and O coupled with second-layer vacancies and a substitutional C are not responsible for a type- C defect. We also discuss how the electronic structure of a type- C defect contributes to its specific scanning tunneling microscopy images.     

Two-dimensional carbon incorporation into Si(001): C amount and structure of Si(001)-c(4 x 4)

The C amount and the structure of the Si(001)-c(4 x 4) surface is studied using scanning tunneling microscopy (STM) and ab initio calculations. The c(4 x 4) phase is found to contain 1/8 monolayer C (1 C atom in each primitive unit cell). From the C amount and the symmetry of high-resolution STM images, it is inferred that the C atoms substitute the fourth-layer site below the dimer row. We construct a structure model relying on ab initio energetics and STM simulations. Each C atom induces an on-site dimer vacancy and two adjacent rotated dimers on the same dimer row. The c(4 x 4) phase constitutes the subsurface Si(0.875)C(0.125) delta layer with two-dimensionally ordered C atoms.     

Growth and evolution of epitaxial erbium disilicide nanowires on Si (001)

Sub-monolayer amounts of Er deposited onto Si (001)react with the substrate to form epitaxial nanowires of crystalline ErSi₂. The growth of uniaxial structures occurs because the different crystal structures of ErSi₂ and Si have a good lattice match along one Si<110> crystallographic axis but a significant mismatch along the perpendicular Si<110> axis. The nucleation, growth, and subsequent evolution of ErSi₂ nanowires were investigated as functions of erbium coverage on the Si (001) surface, annealing time, and annealing temperature. Low annealing temperatures (620 °C) and times (5 min) produced ErSi₂ nanowires with widths of a few nanometers, heights less than one nanometer, and lengths of several hundred nanometers. For longer annealing times at low temperature, the surface roughened without significant ripening of the wires. Annealing at intermediate temperatures (∼700 °C) caused stacking faults to form along the long axis of the nanowires and their lengths to ripen. At high temperature (800 °C), the wires broke apart into short segments with stacking faults. Received: 30 January 2002 / Accepted: 31 January 2002 / Published online: 3 May 2002