Sputter yields of Mo,Ti, W,Al, Ag under xenon ion incidence

The sputter yield is an important material parameter not only for various surface treatment techniques, but also for electric spacecraft propulsion. Many satellite or thruster components might be subject of erosion due to energetic and/or related secondary ions. In order to estimate the lifetime of these components the sputter yield under xenon ion incidence has to be known in dependence on ion energy and incidence angle, mainly in the low energy region (i.e. below 1500 eV). However, for many materials related to electric propulsion the supply of sputter yield data in literature is quite poor. Therefore, in this study the sputter yields of molybdenum, titanium, tungsten, silver and aluminium was investigated under xenon ion incidence.     

Sputtering of compound semiconductor surfaces. I. Ion-solid interactions and sputtering yields

Several phenomena occur on the surface of a solid when being bombarded by energetic ions. A short general review is given of the major ion-solid interactions on compound semiconductor surfaces. An in-depth discussion is presented of the total sputtering yields of component semiconductors. For this discussion, GaAs is assumed to be the prototype compound semiconductor because most experimental measurements exist for GaAs. To exclude any chemical effects in the sputter yields, only the total sputtering yield data for argon ion bombardment of GaAs are compared with the predictions of the major sputtering theories, with particular attention to the Sigmund theory for linear cascade sputtering. Different proposals of each of the parameters in this theory are presented and compared with the GaAs data. These parameters are the surface binding energy, the nuclear stopping power, and the factor α, which represents the fraction of energy available for sputtering. Use of the different parameters results in a large variation in the predictions. Topics also considered are the angle dependence of the sputtering yields, sputter threshold energy, and channeling effects in the sputter yields of compound semiconductors. Spike sputtering effects are evident in the sputtering yields of GaAs by krypton and xenon ions.     

Nonclassical smoothening of nanoscale surface corrugations

We report the first experimental observation of nonclassical morphological equilibration of a corrugated crystalline surface. Periodic rippled structures with wavelengths of 290-550 nm were made on Si(001) by sputter rippling and then annealed at 650-750 degrees C. In contrast to the classical exponential decay with time, the ripple amplitude Alambda(t) followed an inverse linear decay, Alambda(t)=Alambda(0)/(1+klambdat), agreeing with a prediction of Ozdemir and Zangwill. We measure the activation energy for surface relaxation to be 1.6+/-0.2 eV, consistent with the fundamental energies of creation and migration on Si(001).     

Structure transformation of Ir clusters on Ir surfaces

A small Ir cluster can assume either a one-dimensional linear-chain structure or a two-dimensional island-like structure. We present a study of the energetics of the 1 D to 2 D structure transformation of three-atom Ir clusters on the Ir(111) and (001) surfaces. On the (111) plane, the temperature dependence of the ratio of the probabilities of observing a three-atom cluster in the 1 D and 2 D structures exhibits a simple linear Arrhenius behavior. The 2 D island structure is found to be more stable with the cluster binding energy lower by 0.098±0.004 eV. On the (001) plane, the 1 D chain structure is more stable with the cluster binding energy lower by 0.335±0.015 eV. From these energies, the relative pair interaction at three different bond lengths can be derived. The relative pair potential is found to be non-monotonic in distance dependence. We explain the (1×5) reconstruction of the Ir(001) surface as being caused by the large difference in the pair binding energy of the first and second nearest-neighbor bonds. In addition, we find a significant deviation from the simple linear Arrhenius behavior at low temperatures for the three-atom Ir cluster on the Ir (001) plane, indicating that the entropy factor is temperature dependent.     

Characterization of a RF/dc-magnetron discharge for the sputter deposition of transparent and highly conductive ITO films

A RF-superimposed dc-magnetron sputter process for coating color filter materials with transparent and conducting ITO films was investigated. In this process, the sputtering cathode is excited simultaneously by dc- and RF-power (at 13.56 MHz). This work summarises the measured properties of the gas discharge. Some basic data of the deposited ITO films are given, also. The dependence of the RF portion of the total sputtering power on the discharge voltage has been monitored for different values of total power and process pressure. The ion energy distribution function of the positively charged ions approaching the substrate surface has been measured using a retarding field plasma analyser probe. It was shown that the mean energy of the ions increases with increasing RF portion of the total power. The electron temperature in the body region of the gas discharge has been derived from measurements of the optical emission of the excited species. Received: 3 November 1998 / Accepted: 8 March 1999 / Published online: 14 July 1999     

Real-time in situ spectroscopic ellipsometry investigation of the amorphous to crystalline phase transition in Mo single layers

Molybdenum single layers were grown by ion beam sputter deposition onto [001] Si substrates. Argon or xenon was used as sputter gas. The layer growth was monitored by real-time in situ spectroscopic ellipsometry in the visible spectral region. A volume phase transition from amorphous to polycrystalline molybdenum layer growth was observed during the deposition process. The time regime of the phase transition as well as the layer thickness at which the phase transition occurs, depends on the sputter regime, especially on sputter species and deposition-pressure range. The thermodynamic approach of energy minimisation is discussed as the driving force for the Mo phase transition. A moderate backscattered particle bombardment of the growing molybdenum film provides the activation energy for the recrystallisation process. A self-diffusion-like process is made responsible for atomic rearrangement of the entire as-deposited thin-film volume. The molybdenum phase transition is connected to thin-film densification and therefore volume contraction. PACS 68.65.Ac; 81.15.Cd; 78.67.Pt     

Temperature-dependent sputtering of metals and insulators

The temperature dependence of the sputter yield and the energy spectrum of sputtered atoms have been investigated on the basis of a standard model for thermal spikes. A high-temperature and a low-temperature regime have been identified in the temperature spectrum making up the evaporation yield. The high-temperature component of the yield as well as the associated energy spectrum are only very weakly dependent on ambient target temperature. The relative variation is the less pronounced the higher the spike temperature. The low-temperature component is associated with the long-time behavior of the spike, and measurable evaporation takes place over time intervals where spikes overlap. The importance of time constants for macroscopic heat transport is pointed out. The results are shown to provide a framework within which experimental results on the temperature dependence of the sputter yield of metals can be explained. The results are also consistent with measured temperature dependences in the sputter yield of insulators.On leave from Instytut Fizyki, Uniwersytet Jagiellonski, PL-30-059 Krakow, Poland     

Auger study of preferred sputtering on binary alloy surfaces

Auger Electron Spectroscopy has been used to investigate the preferred sputtering behavior on homogeneous Cu/Ni alloy surfaces. Measurements were made on a range of alloy compositions with Ar⁺ sputter ions of 0.5 to 2 keV energy. A kinetic model has been formulated to describe the time variation of the surface composition during sputtering. Based on this model, we were able to determine the individual sputter yields for Cu and Ni atoms in the alloy and the depth of the surface layer where the composition is altered by sputtering. The sputter yields were found to be relatively independent of the alloy composition but increased almost linearly with energy. The depth of the altered layer was comparable to the Auger sampling depth with its value increasing from 10 Å to more than 20 Å when ion energy increased from 0.5 to 2 keV.     

立方相Na_(1/2)Bi_(1/2)TiO_3和K_(1/2)Bi_(1/2)TiO_3的电子结构和结构不稳定性的第一性原理比较研究

采用基于密度泛函理论的第一性原理方法比较研究了Na1/2Bi1/2TiO3和K1/2Bi1/2TiO3的电子结构、离子位移势能面和Γ声子等性质.结果表明,Na1/2Bi1/2TiO3和K1/2Bi1/2TiO3的电子结构很相似,价带由O 2p电子态主导并包含部分Ti 3d和Bi 6p电子态,导带低能部分由Ti 3d空轨道构成;K取代Na后其Ti—O和Bi—O键的键强略有增加.两者的离子位移势能面也很接近,O离子的偏心位移对结构不稳定性起主导作用,且K取代Na后其作用增强.Γ声子都存在3个软模,分析表明软模主要来自O6基团的振动,K取代Na后A2u软模发生硬化.     

Electronic excitations during grazing scattering of hydrogen atoms on KI(001) and LiF(001) surfaces

The energy loss of hydrogen atoms with energies of 400 eV and 1 keV is studied in coincidence with the number of emitted electrons during grazing scattering from atomically clean and flat KI(001) and LiF(001) surfaces. The energy loss spectra for specific numbers of emitted electrons are analyzed in terms of a binary interaction model based on the formation of transient negative ions via local capture of valence band electrons from anion sites. Based on computer simulations we derive for this interaction scenario probabilities for the production of surface excitons, for electron loss to the conduction band of KI, for emission of electrons, and for formation of negative hydrogen ions. The pronounced differences of data obtained for the two surfaces are attributed to the different electronic structures of KI and LiF.     

应变Si1-xGex能带结构研究

采用结合形变势理论的K.P微扰法建立了（001）,（101）和（111）面弛豫Si衬底上生长的应变Si_1-xGe_x（x≤0.5）的能带结构模型,获得了其导带带边能级、价带带边能级、导带劈裂能、价带劈裂能及禁带宽度随Ge组分（x）的函数变化关系,该量化数据对器件研究设计可提供有价值的参考． 关键词： 1-xGe_x')" href="#">应变Si_1-xGe_x K.P 法 能带结构     

Ion beam mixing and sputtering of Kr-irradiated TiN films measured with RBS,RNRA, and PIXE

Thin titanium nitride films of 10–300 nm thickness were irradiated with ⁸⁴Kr ions of 80–700 keV energy and fluences ranging from 10¹⁶ cm² to 2×10¹⁷ cm². Sputter yields (Y=0.4–1.0) and mixing rates (k=0.05–0.5 nm⁴) were determined using the depth profiling methods RBS, RNRA, and PIXE. While the sputter yields agree well with the modified Sigmund theory, the energy dependence of the mixing rates cannot be explained by standard models.     

DFT and Monte Carlo study of the W(001) surface reconstruction

The driving force for the W(001) surface reconstruction and electronic structures of pristine and H-covered W(001) surfaces are studied by means of relativistic DFT calculations. The spin-orbit coupling leads to the splitting of the bands. Adsorbed physical monolayer of hydrogen due to forming adsorption bonds stabilizes the (1 × 1) structure of the H/W(001) surface. The performed calculations have not revealed any substantial nesting of Fermi surface, so do not support the Peierls-like charge-density-wave mechanism of the surface reconstruction. The total energy of the (√2 × √2)R45° W(001) surface structure is found to be lower, by 0.14 eV per atom, than for the (1 × 1 W(001). The dependence of the relative intensity of the characteristic LEED reflection on temperature, obtained with the help of Monte Carlo simulations using the interaction energies estimated from DFT calculations, is in good agreement with available experimental data, thus supporting the concept of the order-disorder type of the transition between the low-temperature ((√2 × √2)R45° and room-temperature (1 × 1) surface structures of W(001).     

Retention of the potential energy of multiply charged argon ions incident on copper

The retained fraction of the potential energy of argon ions incident on copper has been measured using stationary calorimetry at charge states up to 9+ and kinetic energies ranging from 75 to 240 eV per ionic charge. An average fraction of 30% to 40% is found with little dependence on the charge number and on the kinetic energy. The retention of the total energy ranges from 60% to 75% and can mainly be accounted for by the retained fraction of the potential energy and the collisional energy lost by reflected ions and sputtered target atoms.     

四方铁电体PbFe0.5Nb0.5O3精细结构的第一性原理研究

采用全电势线性缀加平面波法(FPLAPW),计算了PbFe0.5Nb0.5O3的总能量,从而确定了它的四方铁电稳态结构,即B位离子(Fe和Nb)在四方铁电相的平衡构型.计算结果表明,Fe相对于氧八面体沿[001]方向的位移为0.022nm,而Nb的偏心位移为0.0020nm,其中铁电非稳性主要归因于前者 关键词： 铁电体 密度泛函理论 平面波法     

单、双电荷离子与原子碰撞中的激发态和发射截面比较

本文给出了单、双电荷离子和He,Ne,Ar,碰撞过程中产生的激发态的实验结果。He^q+,Ar^q+(q=1,2)离子束实验室能量为(70—170)×q keV。光学测量由光学多道分析系统(OMA)完成,波长范围为200—800nm。观察到单、双电荷离子和原子碰撞中各种不同的激发过程,讨论了发射截面和入射离子电荷数、势能亏损的依赖关系。 关键词：     

Measurement of the sputter yield after mild ion erosion of a pristine Cu(001) surface

Using the STM technique we have determined the sputter yield on a pristine Cu(001) surface after mild (fluence less than 0.044 ions per surface atom) bombardment of the pristine surface with 800 eV Ar⁺ions at normal incidence. The experiments have been performed at substrate temperatures ranging from 200 to 350 K. Making use of the positional correlation of adatoms and surface vacancies, at 200 K and 325 K, we concluded that about 1/3 of the surface adatoms originate from interstitials arriving at the surface and they give a direct indication of the buried bulk vacancies. A careful analysis of the different areas for surface vacancies and adatom then allowed a quantitative evaluation of the sputter yield at 1.2 Cu atoms per 800 eV Ar⁺ ion.     

Velocity distributions in magnetron sputter

Results of the particle simulation of magnetron sputter are presented. Using a kinetic code, we obtain the spatial profiles of plasma density, potential, and velocity distribution function, along with the electron temperature, the ion density, the current density, and the deposition profiles at the anode surface. The result of simulation is compared with the Child-Langmuir law applied to the magnetron discharge and the global model. The velocity distribution function of electrons is Maxwellian, but that of ions is non-Maxwellian near the cathode with the majority in the energy range below 50 eV     

Properties of the oxygen sublattice structure of YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7−<Emphasis Type="Italic">x</Emphasis></Subscript> crystal studied by ion channeling

Properties of the oxygen sublattice structure of the YBa₂Cu₃O_{7 ?x} crystal are studied using the diffusion model of ion channeling. The angular dependence of the elastic resonance scattering of helium ions on oxygen nuclei along the 〈001〉 direction is measured at an ion energy of 3.055 MeV. Steps are observed in the scattering yield at an angle of about 0.4°. The best fit of the calculated angular dependence of elastic resonance scattering to the experimental data is attained under the assumption that the oxygen rows contain vacancies corresponding to a fraction (not exceeding 20%) of the disordered oxygen atoms, which are randomly distributed in the plane normal to the 〈001〉 direction, and that the oxygen atoms in the rows are displaced from their equilibrium positions in a direction normal to the 〈001〉 axis.     

On the Bethe–Wigner–Shapiro limit of the rate coefficient for the capture of a rotating quadrupolar polarisable diatom by an ion

The low-energy (Bethe–Wigner–Shapiro) behaviour of the rate coefficient for capture of a polarisable quadrupolar rotationally excited diatom by an ion is calculated. The multichannel character of capture shows itself in the dependence of the effective attractive potential on the intrinsic angular momentum of the diatom and in a nonadiabatic diagonal correction to the potential. The predicted energy dependence of the rate coefficients is compared with previous numerically accurate results for the capture of H₂ molecules by H₂⁺ ions.