Surface phonon dispersion of Cu(100)c(2×2)N

The Cu(100) surface covered with atomic nitrogen has been studied with low energy electron diffraction (LEED), Auger electron spectroscopy (AES) and inelastic electron scattering (EELS). Atomic nitrogen, formed by thermal dissociation of NH₃ adsorbed at 100 K, forms a c(2×2) overlayer on the Cu(100) surface. The dispersion of adsorbate and substrate associated modes of the Cu(100) surface covered with a c(2×2) nitrogen overlayer has been measured along the two dimensional Brillouin zone in the - by inelastic electron scattering. The experimental data are compared to a lattice dynamical slab calculation. The Rayleigh-mode (S₄-phonon) is only slightly changed by the N-overlayer. An optimum fit for the perpendicular and parallel nitrogen modes (=320 cm^–1 and =740 cm^–1 at =0.1) is obtained when the nitrogen atom is placed 0.6 Å above the first copper layer.     

Abnormal Suppression of Vector-Tensor Decays of ψ(2S)

The hadronic decays ψ(2S)→ρα₂ and K^*0K₂^*0+c.c. have been studied in a sample of 3.6×10⁶ ψ(2S) events.Measurements of their branching fractions are presented.Both channels violate the “15% rule” predicted by perturbative QCD compared with the corresponding J/ψ decays.These results serve as new examples of abnormal suppression of ψ(2S) decays into vector-tensor final states that was first observed in ψ(2S)→ωf₂     

Initial stages of oxidation of GaAs(111)2 × 2-Ga surfaces

The initial interaction of oxygen at room temperature with GaAs(111)2 × 2-Ga surfaces has been studied by quantitative Auger analysis and low-energy electron diffraction, under different electron irradiation and gas ionization conditions. Oxygen fills first the non-vacancy overlayer sites with a preferential bond to the Ga atoms. This adsorption phase is characterized by the absence of chemical shifts in the Ga Auger peaks that involve core levels. The oxidation stage begins with the occupation of the underlayer sites below the first Ga-As bilayer. For coverages lower than 2 monolayers oxygen adsorption and incorporation takes place without any loss of Ga or As atoms of the surface layers. Electron irradiation and gas ionization of the oxygen-covered surface increase the kinetics up to two orders of magnitude, but no changes in the adsorption sites and/or occupation sequence have been detected.     

The crystal structure of meta-zeunerite Cu(UO2)2(AsO4)2⋅8 H2O

The structure of the mineral zeunerite (deposits at Rotava near Kraslice, Ore Mountains) was determined. The tetragonal unit cell, having the dimensionsa=7.10₅Å andc=17.70₄Å, contains two structure units of Cu(UO₂)₂(AsO₄)₂8H₂O. The space group isP4₂/nmc. The distribution of the atoms in the unit cell was determined from the Patterson projectionP(vw) and by means of (F ₀-F _c) synthesis. Meta-Zeunerite has a layer type structure. The sheets [(UO₂)(AsO₄)] are separated by layers containing the cations (Cu(H₂O)₄)²⁺ and molecules of water. The uranium is coordinated octahedrally with six oxygen atoms at distances: U-O₁ 1.94 Å, U-O₂ 1.78 Å, U-O₃₍₄₎ 2.18 Å (4×). The uranyl radical O₁-U-O₂ is linear. In the tetrahedron AsO₄ the interatomic distances are As-O 1.77 Å and the bond angles 102°, 102°, 113° and 113°. Each oxygen atom of the tetrahedron AsO₄ is simultaneously bonded to the uranium atom. The bond angle As-O-U is 137°. The layers [(UO₂)₂(AsO₄)] are bonded together by the cations (Cu(H₂O)₄)²⁺. The distances Cu-O₁ and Cu-O₂ are 2.55 and 2.58Å respectively. The structural changes during hydration and dehydration are explaned.

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- Cu(UO₂)₂(AsO₄)₂8 H₂O

( , ). =7,10₅ Å,=17,70₄ Å Cu(UO₂)₂(AsO₄)₂8 ₂O. P4₂/nmc. P(v w) (F ₀-F _c) . . , [(UO₂)(AsO₄)], , [u(₂)₄]²⁺ . : U-O₁ 1,94 Å, U-O₂ 1,78 Å, U-O₃₍₄₎ 2,18 Å ( ). ₁-U-₂. AsO₄ As- 1,77 Å -102°, 102°, 113° 113°. AsO₄ . As--U 137°. [(UO₂)₂(AsO₄)] [u(₂O)₄]²⁺. u-O₁ 2,55 Å, u-O₂ 2,58 Å. .

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In conclusion the author thanks T. Veselská for assistance in the calculations and workers of the National Museum in Prague, and primarily Dr. ípek, for supplying the sample. The experimental work was carried out at the Department of Physics of the Natural Science Faculty of Komenský University.     

Ab initio study of the (2 × 2) phase of barium on graphene

We present a first-principles density functional theory study on the structural, electronic and dynamical properties of a novel barium doped graphene phase. Low energy electron diffraction of barium doped graphene presents clear evidence of (2 × 2) spots induced by barium adatoms with BaC₈ stoichiometry. First principles calculations reveals that the phase is thermodynamically stable but unstable to segregation towards the competitive BaC₆ monolayer phase. The calculation of phonon spectrum confirms the dynamical stability of the BaC₈ phase indicating its metastability, probably stabilized by doping and strain conditions due to the substrate. Barium induces a relevant doping of the graphene π states and new barium-derived hole Fermi surface at the M-point of the (2 × 2) Brillouin zone. In view of possible superconducting phase induced by foreign dopants in graphene, we studied the electron–phonon coupling of this novel (2 × 2) obtaining λ = 0.26, which excludes the stabilization of a superconducting phase.     

Synthesis and characterization of magnetic diphase ZnFe(2)O(4) /γ-Fe(2)O(3) electrospun fibers

Magnetic nanofibers of ZnFe₂O₄/γ-Fe₂O₃ composite were synthesized by electrospinning from a sol-gel solution containing a molar ratio (Fe/Zn) of 3. The effects of the calcination temperature on phase composition, particle size and magnetic properties have been investigated. Zinc ferrite fibers were obtained by calcinating the electrospun fibers in air from 300 to 800 °C and characterized by thermogravimetric analyses, Fourier transformed infrared spectroscopy, X-ray photoemission spectroscopy, X-ray diffraction, vibration sample magnetometry and magnetic force microscopy. The resulting fibers, with diameters ranging from 90 to 150 nm, were ferrimagnetic with high saturation magnetization as compared to bulk. An increase in the calcination temperature resulted in an increase in particle size and saturation magnetization. The observed increase in saturation magnetization was most likely due to the formation and growth of ZnFe₂O₄/γ-Fe₂O₃ diphase crystals. The highest saturation magnetization (45 emu/g) was obtained for fibers calcined at 800 °C.     

Microfacets of the (1 × 2) reconstructed Pt(110) surface seen in the adsorption dynamics of H2

We have detected a strong azimuth dependence of the adsorption dynamics of hydrogen on a Pt(110)(1×2) surface. Adsorption on the (1 ×2) reconstructed surface is found to be governed by the (111) microfacets of the missing row structure. Furthermore we have observed a low temperature α-state in the thermal desorption spectra comparable to the α-states for other fcc (110) surfaces.     

Structure of σ model in [1, 1] representation of SU(2) ⊗ SU(2) group

The spontaneous breakdown of symmetry of the-model in the [1, 1] representation of SU(2) SU(2) group is investigated. It is shown that the spontaneous breakdown is realized in all cases of squared mass ² in mass term in the Lagrangian ( ²>0, ²=0, ²<0), unlike the-model in [1/2, 1/2] representation, in which the spontaneous breakdown only for the case ²<0 manifests itself. Further, different but equivalent methods of obtaining the nonlinear realization for pions in the frame of an extended in such a way-model are demonstrated. Finally, it is sketched, that the obtained results can be generalized to all [N/2,N/2] representations of SU(2) SU(2) chiral group.Presented at the Symposium on Hadron-Hadron Scattering at High Energies, Liblice, Czechoslovakia, June 16–21, 1975.On leave of absence from theDept. of Theoretical Physics, Comenius University, Bratislava, Czechoslovakia.     

Deposition behaviour of single Si adatom on p(2×2) Si(100) surface

The deposition of a single Si adatom on the p(2×2) reconstructed Si(100) surface has been simulated by an empirical tight-binding method. Using the perfect and defective Si surfaces as the deposition substrates, the deposition energies are mapped out around the research areas. From the calculated energy plots, the binding sites and several possible diffusion paths are achieved. The introduced defects will make the deposition behaviour different from that on the perfect surface.     

Fabrication and magnetic properties of 4SC(NH_2)_2–Ni_(0.97)Cu_(0.03)Cl_2 single crystals

Single crystals of 4SC(NH2)2–Ni1-xCux Cl2(x = 0.03)(Cu-DTN) containing spin S = 1/2 Cu2+and S = 1 Ni2+cations are synthesized by slow evaporation methods. Structural characterization demonstrates that the Cu-DTN is of a tetrahedral structure with lattice parameter c being 9.0995 ?A, which is 1.32% expansion compared with that of parent material DTN due to the larger radius of the Cu ion. Direct current(DC) susceptibility measurements show that both the antiferromagnetic exchange interaction at low temperature and the large anisotropy of susceptibilities are suppressed after doping the Cu ion, which could be related to the structural distortion and the increase of the super-exchange paths in Cu-DTN.     

Classification of qubit entanglement: SL(2,ℂ) versus SU(2) invariance

The role of SU(2) invariants for the classification of multiparty entanglement is discussed and exemplified for the Kempe invariant I ₅ of pure three-qubit states. It is found being an independent invariant only in presence of both W-type entanglement and three-tangle. In this case, constant I ₅ allows for a wide range of both three-tangle and concurrences. This means that I ₅ provides no information on the entanglement in the system in addition to that contained already in the tangles (concurrences and three-tangle) themselves. Furthermore, norm-preserving SL ^⊗3 orbits of states with equal tangles but continuously varying I ₅ are shown to exist. As a consequence, I ₅ can be increased (and decreased) by general local operations. Nevertheless, numerical analysis of random SLOCC’s has not shown any violation of the monotone property of I ₅. In case I ₅ finally turned out to being an entanglement monotone, this would imply that both SU(2) invariance and the stronger monotone property are too weak requirements for the characterization and quantification of entanglement for systems of three qubits, and that SL(2,ℂ) invariance is required. This conclusion can be extended to general multipartite systems (including higher local dimension) because the entanglement classes of three-qubit systems appear as subclasses.     

Observation of the Molecular Quenching of μp(2S) Atoms

Kinetic energy distributions of muonic hydrogen atoms μp(1S) have been obtained by means of a time-of-flight technique for hydrogen gas pressures between 4 and 64 hPa. A high energy component of ∼900 eV observed in the data is interpreted as the signature of long-lived μp(2S) atoms, which are quenched in a non-radiative process leading to the observed high energy: the collision of a thermalized μp(2S) atom with a hydrogen molecule H₂ results in the resonant formation of a {[(ppμ)⁺]^*pee}^* molecule. Then the (ppμ)⁺ complex undergoes Coulomb de-excitation and the ∼1.9 keV excitation energy is shared between a μp(1S) atom and one proton. The preliminary analysis of the time spectra gives a long-lived μp(2S) population of ∼1% of all stopped muons, and a quenching rate of ∼4⋅10¹¹ s⁻¹. This revised version was published online in August 2006 with corrections to the Cover Date.     

Vibrational analysis of the (B 2 П→X 2 П) system of NS

A few red degraded bands attributable to NS have been reported earlier byFowler andBarker, Dressler andBarrow et al, and they occur in the same region (2300 to 2700 Å) as the bands of the known systems (C ² ∑ ⁺?X ² П) and (A ² Δ?X ² П). Measurements made on the heads of some of these weak bands ledBarrow et al. to believe that these bands may form a system analogous to theβ-system of NO and be due to a² П-² П transition. The spectrum of NS has now been studied in a little more detail by means of an uncondensed discharge through dry nitrogen and sulphur vapour in the presence of argon and thirty three bands belonging to this system have been recorded in the region 2280 to 2760 Å. It has been found possible to represent the band heads by means of the equation

$$^v {\text{head}} {\text{ = }} \left. {_{43182 \cdot 5}^{{\text{43311}} \cdot {\text{5}}} } \right\}_{ - [1219 \cdot 20(v'' + \tfrac{1}{2}) - 7 \cdot 48(v'' + \tfrac{1}{2})^2 ].}^{ + [761 \cdot 04(v' + \tfrac{1}{2}) - 5 \cdot 10(v' + \tfrac{1}{2})^2 ]}$$     

Puzzle of low temperature phase of α-(ET)2 salts

α-(ET)₂ salts split into two groups: one superconducting and another with mysterious low temperature phase (LTP). The LTP does not exhibit X-ray signiture of conventional CDW or magnetic one for SDW. But the magnetic phase diagram suggests strongly a kind of CDW. We have analysed the threshold electric field of unconventional CDW (UCDW) both for H=0 and H≠0. The threshold electric field for UCDW with H=0 and for 3D weak-pinning limit describes reasonably well the one determined in α-(ET)₂KHg(SCH)₄. The result for H≠0 is also presented. We propose that the LTP in α-(ET)₂ salts is most likely UCDW.     

Spectroscopic Properties and Electronic Structure of (L-Glutamato)(2, 2′-Bipyridine) copper(II)

Cu(L-glu)(bpy)(L-glu = L-glutamato; bpy = 2, 2′-bipyridine) was prepared. Its electronic absorption spectrum and photoacoustic spectrum were recorded at room temperature. They were compared with each other and compared quantitatively with ligand field theory(LFT) and the radical wave function of non-free ions^[1–3]. Therefore, the electronic structure was also investigated with its spectrum behaviors and PLFT^[1–3].     

Superconductivity of κ-(BEDT-TTF)2Cu[N(CN)2]I under pressure

The insulating state of κ-(BEDT-TTF)₂Cu[N(CN)₂]I salt appearing at ambient pressure at low temperatures is suppressed by hydrostatic pressure. The resistive measurements showed that the emerging metallic state reveals superconductivity in high-quality crystals. The superconducting state with the transition temperature of about 8 K is stable at pressures higher than 0.1 GPa.     

The role of Sb(5+) in the structure of Sb(2)O(3)-B(2)O(3) binary glasses--an NMR and Mössbauer spectroscopy study

Glasses of general formula xSb₂O₃ (1−x)B₂O₃ (0x0.8) have been prepared by conventional melt- quenching. Mössbauer spectroscopy shows that a fraction of the Sb³⁺ is converted to Sb⁵⁺ and this fraction increases with x. High-field ¹¹B MAS NMR gives well-resolved resonances from boron atoms which are 3- and 4-coordinated to oxygen. The fraction of 4-coordinated boron, N₄, goes through a maximum value of 0.12±0.01 at x=0.5. The position of the maximum in N₄ is consistent with the cation potential for Sb³⁺, as observed for other systems. However, the low value of N₄ at this maximum is not so readily explained. The values are similar to those predicted if [BO₄]⁻ were stabilised by [SbO₄]⁺ but the trends with composition are different.     

Spectroscopic Properties of Cu(L-met)2, Cu(DL-met)2, Cu(L-ala)2 and Cu(DL-ala)2˙H2O and Qualitative Explanations to the Magnetism and Relative Ordering of the One-Electron Energy Levels.

Electronic absorption spectra and photoacoustic spectra of four copper(II)-amino acid complexes of formulas Cu(L-met)˙(1). Cu(DL-met)˙(2). Cu(L-ala)x(3) and Cu(DL-ala)˙-H₂O(4)(L-met=L-methioninato;DL-met=DL-methioninato;L-ala=L-alaninato DL-ala=DL-alaninato) were recorded and the results are discussed quantitatively with respect to llgand field theory and the radical wave function of a non-free copper(II) ion. The relationship between the maximum absorption peak in PAS and magnetic properties is also discussed. Lastly, a qualitative explanation on the senquence of splitting energy in going from regular octahedral to strongly elongately and slightly tetragonally distorted octahedral around each copper(II) center is proposed.