Anomalies of internal friction of ferrimagnetic spinel Li0.5Fe2.5O4 in various structural states

The results of high-temperature (20≤T≤800°C) relaxation and magnetic investigations of ferrite Li_0.5Fe_2.5O₄ in various structural states are given. Anomalies of internal friction caused by the occurrence of ferrimagnetic and structural (ordering type) second-order phase transitions and by vibrations of domain walls of ferrimagnetic and antiphase domains were revealed. It is shown that the 1: 3 ordering of Fe³⁺ and Li⁺ ions in the octahedral sublattice of the spinel leads to a decrease in the Curie temperature, a change in the character of the temperature dependence of the low-field magnetization, and a narrowing of the temperature range of the structural phase transition, as well to a substantial weakening of dissipation processes connected with vibrations of ferrimagnetic domain walls in the field of elastic stresses.     

A new model for CO ordering at high coverages on low index metal surfaces: A correlation between LEED,HREELS and IRS: I. CO adsorbed on fcc (100) surfaces

In this paper, we reexamine the surface structures of CO on (100) surfaces of copper, palladium, nickel and platinum. We use the types of site determined by High Resolution Energy Electron Loss Spectroscopy (HREELS), or Infra Red Spectroscopy (IRS), to propose new models for the arrangement of CO molecules at coverages exceeding $\text{1}\text{2}$, i.e. at coverages higher than those corresponding to simple structures c(2 × 2) and $\text{p}\text{(2}\text{2}\text{×}\text{2}\text{)}\text{R}\text{45°}$. Laser simulations allow us to decide the validity of the proposed models. The consequences of these models are the existence of at most two adsorption sites at all coverages, and the existence of antiphase domains separated by walls to form the complex structures. The transition between two consecutive structures due to an increase of coverage is a unidirectional compression, generating more wall regions.     

氢原子诱导的金刚石(111)面从(2×1)再构转变成(1×1)结构的电子结构研究

运用从头算的DV-X_α方法研究了氢原子诱导的金刚石(111)面从(2×1)再构到(1×1)结构的电子结构。结果表明,氢原子在结构转变中的作用是首先使(2×1)结构中的Pandey π键畸变,进而破坏(sp²杂化键+Pandey π键)结构,促使sp³杂化键的形成。 关键词：     

Phase transition between (2 × 1) and <Emphasis Type="Italic">c</Emphasis>(8 × 8) reconstructions observed on the Si(001) surface around 600°C

The Si(001) surface subjected to different treatments in ultrahigh vacuum molecular beam epitaxy chamber for SiO₂ film decomposition has been in situ investigated by reflected high energy electron diffraction (RHEED) and high resolution scanning tunneling microscopy (STM). A transition between (2 × 1) and (4 × 4) RHEED patterns was observed. The (4 × 4) pattern arose at T ≤ 600°C during the post-treatment cooling of the sample. The reconstruction was observed to be reversible. The c(8 × 8) structure has been revealed by STM at room temperature on the same samples. The (4 × 4) patterns have been evidenced to be a manifestation of the c(8 × 8) surface structure in RHEED. The phase transition appearance has been found to depend on thermal treatment conditions and sample cooling rate.     

Phase transitions on clean Si(110) surfaces

The properties of the structure of clean Si(110) surfaces have been investigated by LEED. The phase transitions between surface structures Si(110)?(4 × 5), Si(110)?(2 × 1) and Si(110)(5 × 1) take place at about 600 and 750°C. The time of reconstruction from the high temperature phase to the low temperature phase may exceed the time of the sample cooling. That explains why the Si(110)?(2 × 1) and the Si(110)?(5 × 1) superstructures may be seen at room temperature. Surface defects favour the retaining of high temperature phases on the surface at room temperature. The transition from the Si(110)?(5 × 1) structure to the Si(110)?(2× 1) structure and conversely in the temperature range of 720–750°C apparently occurs through formation of the intermediate structures Si(110)?(7 × 1) and Si(110)?(9 × 1). The models are given of superstructures observed by LEED.     

Asymmetric <Emphasis Type="Italic">c</Emphasis>(4×4) → γ(2×4) reconstruction phase transition on the (001)GaAs surface

The c(4×4) → γ(2×4) reconstruction phase transition on the (001)GaAs surface is studied experimentally. It is shown that it is a first-order phase transition. The phase transition is found to exhibit a highly asymmetric hysteresis. The difference between the direct and inverse runs of the hysteresis is explained in terms of the mean field theory of an adsorption-induced phase transition by the substantial contribution of lateral multiparticle interactions in the adsorbate.     

Structural phase transitions of the Si(100) surface

A Monte Carlo study of the structural phase transitions on the Si(100) surface for both the “(2×1)” and “c(2×2)” reconstruction families is carried out using the asymmetric dimer model. A second order phase transition is observed at about 250 K from a p(2×2) (layered antiferromagnetic) to a disordered (paramagnetic) state in the “2×1” family. A similar transition is observed about 800 K from a c(2×2) (ferromagnetic) to a disordered state in the “c(2×2)” family. These results are in agreement with real-space renormalization group results. The variation of the specific heat, susceptability and the absolute value of the order parameter as a function of temperature is obtained in the range 200 to 300 K for the “2×1” family and 750 to 850 K for the “c(2×2)” family. Also, the order parameter correlation function is computed for ten different temperatures in the above ranges.     

RHEED study of In-induced superstructures on Ge(111) surfaces

When submonolayer and monolayer amounts of indium were deposited onto clean Ge(111) surfaces at room temperature and then heated, (13 × 2√3), (12 × 2√3), (11 × 2√3), (10 × 2√3), (4√3 × 4√3) R30°-related, (√31 × √31) R(±9°), (√61 × √61) R(30 ± 4°) and (4.3 × 4.3) structures appeared on the surfaces at fixed In coverages and at fixed surface temperatures. General intensity features of superlattice reflections are derived from intensity estimations by eye of superlattice spots in their RHEED patterns, and some structural characteristics of the superstructures are clarified from the analysis of the general intensity features. The former four superstructures are long-period (2 × 2)-related antiphase structures whose period changes, depending on the coverage. The wavevector characterizing the (13 × 2√3) structure, which appears at the smallest coverage, almost coincides with those of structural fluctuation emerging at the clean Ge(111) (1 × 1) surface around 350°C. The coincidence suggests that the longperiod (2 × 2)-related antiphase structures have a close relationship to the structural fluctuation and, besides, to the (2 × 8) structure in their origin.     

La0.67Ca0.33MnO3(001)薄膜表面结构的扫描隧道显微术研究

利用Scanning Tunneling Microscope(STM)和Scanning Tunneling Spectroscopy(STS)技术研究了La_0.67Ca_0.33MnO₃(001)表面性质,研究发现表面呈现多相分离现象,在锰氧终端面观察到了绝缘性的( 2 × 2 )R45°重构表面和金属性的(1×1)重构表面,在镧钙氧终端面,观察到了表面呈现条纹状结构.La_0.67Ca_{0.33 关键词： 镧钙锰氧薄膜 终端面 绝缘金属转变}     

Reconstruction of the (111)-surfaces of homopolar semiconductors: A nonlinear polarizability model

The phases of the (111)-surface of C, Si and Ge are studied. In the top two layers harmonic forces and bond polarizabilities are considered. The calculated 7×7 reconstruction of Si shows good agreement with experiments. The resulting 2×1 structure is compared with that predicted by other treatments. Our model gives a transition from reconstructed to 1×1 disordered phases at finite temperatures as observed in Si and Ge.     

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).     

Electronic surface resonances and the thermally induced W(001) structure transition

The surface weighted effective potentials of the clean W(001) surface at temperatures T = 550 K[(1×1)] and T = 440 K[(√2×√2)R45°] are experimentally obtained from the surface resonance band structure. It is deduced that the transition W(001)-(1×1) → (√2×√2)R45° is a temperature-dependent reconstruction in which there is a contraction of the top layer atoms towards the bulk involving periodic displacements of the atoms normal to the surface.     

Direct observation of the phase transition between the (7 × 7) and (1 × 1) structures of clean (111) silicon surfaces

The phase transition process of clean (111) silicon surfaces between the (7 × 7) and (1 × 1) structures at about 830°C was directly observed by reflection electron microscopy, which had been briefly reported in a previous short communication (Osakabe et al., Japan. J. Appl. Phys, 19 (1980) L309). Smooth atomic steps, whose shapes change spontaneously and continually in a microscopic scale at high temperature of the (1 × 1) structure, transform into zig-zag steps at low temperature of the (7 × 7) structure, where the changes of the step shape stop. On cooling, domains of the (7 × 7) structure nucleate preferentially on upper terraces along the steps and expand on the terraces to the neighbouring steps. Out of phase boundaries with phase differences of 2πn/7 are seen to be formed. On heating the reversed process takes place. The out of phase boundaries are easy places to transform to the (1 × 1) structure. The observations clearly suggest the phase transition of the first order and the models of the (7 × 7) structure of ordered vacancies or adatoms rather than of static displacements of surface atoms.     

The co-induced 1 × 2 ↔ 1 × 1 phase transition of Pt(110) studied by leed and work function measurements

The adsorption of CO on the reconstructed 1 × 2-Pt(110) surface causes a lifting of the reconstruction which has been studied by LEED and work function measurements. The work function initially decreases until at γ = 0.2 the lifting of the reconstruction begins. A comparison with Pt(100) and Pt(111) shows that the similar behaviour of CO-induced work function changes on all three low-index planes of Pt appears to be related with a similar binding geometry of CO adsorbed on top of a (quasi-)hexagonal configuration of Pt atoms. No hysteresis is observed in the adsorption/desorption equilibrium of CO on Pt(110). Although the energetics of the CO-induced phase transition on Pt(110) appear to be analogous to those of the phase transition 1 × 1 ⇹ hex of Pt(100), a number of differences exist between the two surfaces which can be explained by the different structural properties of the various surface phases involved.     

Diffuse scattering from Ge(111) surface at high temperature

On heating a clean Ge(111) surface above 240°C, Ge(111) 2 × 8 surface structure changes to 1 × 1 one. We have first observed twofold splitting diffuse scattering in RHEED patterns from the Ge(111) 1 × 1 surface at high temperatures. A modulated 2 × 2 structure is proposed as a structural model for the diffuse scattering. The Fermi-surface instability of dangling-bond electrons at the surface is studied as an origin of the formation of the modulated structure.     

Surface Structure and Electronic Property of InP（001）-（2×1）S Surface： A First-Principles Study

The surface structure and electronic property of InP（001）-（2 ×1）S surface under S-rich condition are investigated based on first-principles simulations. The analyses of phase transition show that the 3B model is the most stable structure and the S-S dimer is difficult to form. The geometry of the 3B structure agrees well with the experiments. It is also found that the 3B structure has a good passivation with a band gap of about 1.24eV. The results indicate that the 3B structure is the best candidate for the sulfur-rich InP（001）（2 × 1）A phase.     

Anisotropic domain growth of the axial next-nearest-neighbor Ising model at low temperatures

We investigate the ordering kinetics for the axial next-nearest-neighbor Ising (ANNNI) model in one and two dimensions by the multispin heat bath dynamical simulation. This dynamics enables us to overcome the pinning effect and to observe the dynamical scaling law for domain growth in the ANNNI model at zero temperature. The domain growth exponent is 1/2 isotropically both in the ferromagnetic and the dry (commensurate) antiphase. In the wet (commensurate) antiphase, however, it is approximately 1/3 in the modulated direction, whereas it remains 1/2 in the nonmodulated direction. We suggest that these exponent values are dictated by 3- and 4-body diffusion-reaction processes of domain walls.     

Hydrogen-induced reconstruction on a high step density W(001) surface

The hydrogen-induced reconstruction on a high step density W(001) crystal, ($\text{2}\text{×}\text{2}$)R45°-H, with steps oriented parallel to the [110] and ～ 28 Å average terrace width has been investigated using LEED symmetry, beam shape analyses, and EELS. The symmetry of the LEED pattern is observed to change from p2mg for the ($\text{2}\text{×}\text{2}$)R45° clean surface reconstruction to c2mm for the commensurate phase ($\text{2}\text{×}\text{2}$)R45°-H reconstruction. Correspondingly, the shapes of the half-order beams indicate that the hydrogen-induced reconstruction domains are much less elongated than the clean surface domains. A splitting of each half-order beam into four beams at higher exposures indicates the existence of two domains of the incommensurate phase. A commensurate phase v₁ vibrational loss peak centered at 160 meV in the EELS spectrum broadens on the low-energy side during the incommensurate phase and then shifts toward 130 meV and narrows as the (1×1)-H saturation structure develops. These observations imply that there is no long-range inhibition ( ～ 20 Å) to the formation of either commensurate or incommensurate phase; hydrogen induces a switching of the atomic displacements from 〈110〉 directions on a clean surface to 〈100〉 directions, even with steps oriented parallel to the [110]; and in the incommensurate phase there is a distribution of hydrogen site geometries with the most probable geometry more like the commensurate phase geometry than the saturation phase geometry.     

NH3-induced c(4 × 2) to (2 × 2) transition on the Ge(001) surface by a domino-like dimer flip

Under the conditions of thermodynamic adsorption-desorption equilibrium, the first strongly bound molecular adsorption state of ammonia on Ge(001) saturates at one molecule per Ge reconstruction dimer (1/2 ML). High-resolution electron diffraction studies show that this adsorption is accompanied by a structural transition from c(4 × 2) on the clean surface to a (2 × 2) structure which is already completed for a coverage of about 0.04 ML, far below saturation. We propose a model implying the formation of NH₃ islands locally covered with 1/2 ML and a (2 × 2) periodicity caused by a flip of the dimer tilt direction of every second dimer Beyond the edge of these islands, the dimer flip continues domino-like along the dimer rows over the clean parts of the surface. Elongated (2 × 2) domains about 280–330Å long and 30–65Å wide are formed, depending on coverage.     

Exchanges between Si and Pb adatoms on Si(111)

Real-time observation by high-temperature scanning tunneling microscopy of exchanges between Si and Pb atoms on a Si(111)-√3 × √3 surface is reported. The exchange rate is obtained as a function of the temperature. The activation energy of the exchange is about 1.2 eV, and the prefactor, shown to depend on the Pb coverage, is from 2 × 10¹⁰ to 8 × 10¹¹ s⁻¹. This prefactor is much larger than that for the exchange between Pb and Ge adatoms on a Ge(111)-c(2 × 8) surface, indicating that the adatom arrangement greatly influences the exchange mechanism. We also report that metastable 9 × 9 reconstruction appears during Pb desorption.