The infrared spectrum of InCl3 in solid argon

We report the infrared spectrum of InCl₃ in solid argon. The observed spectrum is consistent with a planar D_3h structure for this molecule.     

Interplay between phonon confinement effect and anharmonicity in silicon nanowires

Getting light out of silicon is a difficult task since the bulk silicon has an indirect energy electronic band gap structure. It is expected that this problem can be circumvented by silicon nanostructuring, since the quantum confinement effect may cause the increase of the silicon band gap and shift the photoluminescence into the visible energy range. The increase in resulting structural disorder also causes the phonon confinement effect, which can be analyzed with a Raman spectroscopy. The large phonon softening and broadening, observed in silicon nanowires, are compared with calculated spectra obtained by taking into account the anharmonicity, which is incorporated through the three and four phonon decay processes into Raman scattering cross-section. This analysis clearly shows that the strong shift and broadening of the Raman peak are dominated by the anharmonic effects originating from the laser heating, while confinement plays a secondary role.     

The UV absorption spectrum of the phenyl radical isolated in solid argon

Phenyl radicals have been generated by photodecomposition of nitrosobenzene isolated in solid argon at 12 K. In this medium the origin of the first UV absorption band of nitrosobenzene corresponding to theS ₀ S ₂ transition is found at 30260 cm^–1. Excitation with an excess energy of 2200 cm^–1 results in very efficient photodissociation. The fragments NO and phenyl are stable for many hours. Annealing of the sample above 35 K led to partial recombination and recovery of the absorption spectrum of nitrosobenzene. The UV spectrum of the phenyl radical was obtained in the wavenumber range 25000–45000 cm^–1, apparently without contamination by other species. It shows sharp lines at 25220, 33880, and 34820 cm^–1 and two broader maxima at 38360 and 41060 cm^–1. Of these only the line at 34820 cm^–1 had been assigned to the phenyl radical in earlier work. These data are compared to recent molecular orbital calculations.Dedicated to Prof. F. P. Schäfer on the occasion of his 65th birthday.     

Energy gap in the phonon spectrum of incommensurate lattices: The role of Coulomb forces

We have examined the role of long-range Coulomb forces in the phonon spectrum of a system of two ionic, interpenetrating sublattices. We find that the Coulomb forces create a gap in the sliding mode in the case of incommensurate sublattices while they enlarge the existing gap in the case of commensurate sublattices. The dielectric properties of a system of incommensurate lattices are also examined. Connection with experiment is discussed.     

Ultraviolet laser-induced fluorescence spectrum of fluorochlorocarbene in solid argon

CFCl has been produced for spectral investigation by matrix reactions of alkali metal atomic beams with CFCl₃ in argon followed by rapid quenching to 15°K on a tilted copper wedge. When these samples were irradiated with near uv light from a krypton ion laser, a very intense, highly structured fluorescence spectrum was observed. This emission system extended from about 25 000 cm^?1 to 15 000 cm^?1 and peaked in intensity at about 22 000 cm^?1. The three most intense progressions are assigned to transitions from a common excited state to ground state levels (0v₂0), (1v₂0) and (1v₂1). New molecular constants determined from these progressions include $\text{ω}{}_2{}^0\text{= 446}\text{cm}{}^{\mathrm{?1}}$, x₂₂ = ?1.2 cm^?1, x₁₂ = ?3 cm^?1, x₂₃ = ?4 cm^?1, and x₁₃ = ?6 cm^?1. CFCl was also produced by in situ photolysis of CFCl₃ using laser plasma emission and by alkali metal atom reactions with CF₂Cl₂, CF₂ClBr, and CHFCl₂.     

The near-ultraviolet spectrum of diacetylene trapped in solid argon at 9 K

The absorption spectra of normal and deuterated diacetylene trapped in solid argon at 9 K were investigated in the near-ultraviolet region between 2000 and 3000 Å. The vibrational structure observed at low temperature for the band system at 2448 Å, which was previously reported by Haink and Jungen in the gas phase, and identified as a ¹Δ_u ← X¹Σ_g⁺ transition, was analyzed. A comparison between the spectra for C₄H₂ and C₄D₂ suggests some revisions in the upper-state vibrational assignments. The possibility that the upper state assumes a C_2htrans configuration of ¹A_u symmetry is examined. The matrix spectra also appear to indicate that the absorption spectrum observed at 2576 Å in the gas phase and which has been assigned to a ¹Σ_u^? ← X¹Σ_g⁺ transition may not originate in the ground state of C₄H₂.     

非简谐振动对纳米金刚石表面性质的影响

借助米-里纳德-金斯势研究了纳米金刚石的Debye温度、表面能、表面压强、晶格参量随原子数和形状的变化规律, 探讨了非简谐振动和形状对其表面性质的影响.结果表明: 1)纳米金刚石的Debye温度和表面能随原子数的增多而增大, 其中杆状的Debye温度和表面能要小于立方形的值; 2)纳米金刚石的表面压强和低温时的晶格参量相对变化量随原子数N 的增多而减小,其中杆状的值要比立方形的值要大; 3)原子数较少时,非简谐振动效应和形状对纳米晶的Debye温度、表面能、 表面压强、晶格参量的影响显著.     

The acoustic phonon spectrum of penrose tilings

The spectral weight function associated with the vibrational modes of a two-dimensional quasicrystal is studied numerically. It is found that plane waves corresponding to special symmetry points in reciprocal space are at least very nearly eigenstates of the system. Near periodicities in lineshape parameters plotted as a function of wavevector are found to occur, and the first Brillouin zone edge is identified with lattice parameters. The contribution of these modes to the specific heat is found to obey a two-dimensional Debye Law.     

The influence of intercalation on the phonon spectrum of titanium dichalcogenides

A systematic investigation of the inelastic neutron scattering spectra is carried out for intercalation titanium diselenide compounds of the general formula M _x TiSe₂ (M = Cr, Fe, Ni, Ag). It is shown that the effect of intercalation on the phonon spectrum of the material is determined primarily by the modification of the host lattice due to the formation of Ti-M-Ti covalent centers. It is established that the lattice can undergo a substantial softening when the impurity band coincides with the Fermi level.     

The non-pair forces and phonon dispersion in heavy alkali metals

Two types of the non-pair forces, one from the Born-Mayer and other from the Morse potential, are derived to discuss the response of the electrons in heavy alkali metals, i.e. rubidium and caesium. These potentials are added to the two-body potential of Morse to account for the ion-ion interactions as well. The potentials so obtained are employed to predict the phonon dispersion relations in the bcc metals, which are also compared with the recent precise neutron scattering data.     

Dynamical parameters and phonon spectrum of crystal In4Te3

Calculations of the phonon spectrum of an In₄Te₃ crystal in the central pair-interaction model neglecting long-range forces are reported. The model developed contains 19 unknown parameters, which were determined from experimental values of the displacements of individual sublattices in the unit cell and from the change in the basis vectors as a result of hydrostatic pressure. The phonon spectrum obtained contains a large number of low-frequency optical branches, deforming the acoustic branches. Fiz. Tverd. Tela (St. Petersburg) 41, 1843–1847 (October 1999)     

On the dynamic nuclear polarization by the solid effect with phonon bottleneck

The change of phonon temperature at the allowed and forbidden transitions under the solid effect is taken properly into account. It is shown that the phonon bottleneck cannot diminish the nuclear polarization strongly, in contrast to previous theories.     

The properties of one-dimensional quasiperiodic lattice's phonon spectrum

A numerical method with renormalization group transformation is used to study the scaling properties of phonon spectrum and its relevant state of one-dimensional quasiperiodic lattice which is constructed by reduced map. We find that the phonon spectrum at finite gaps' edges in the binary chain Fibonacci model is a Cantor-like set spectrum. The spectrum is singularly continuous and the state is a critical state.     

The microwave spectrum and structure of the argon trifluoroacetonitrile complex

The rotational spectrum of argon trifluoroacetonitrile complex has been studied by pulsed-nozzle, Fourier transform microwave spectroscopy. Both a-type and b-type transitions have been observed. The rotational constants are A = 3053.0903(2) MHz, B = 1039.9570(2) MHz, and C = 895.5788(1) MHz. The ¹⁴N nuclear quadrupole hyperfine components of the rotational transitions have been resolved, the ¹⁴N nuclear quadrupole coupling constants are χ_aa = 1.746(1) MHz, and χ_bb − χ_cc = −6.426(2) MHz. The complex is T-shaped, with the argon atom located 3.73 Å from the center of mass of the trifluoroacetonitrile molecule.     

The proton-reduced L X-ray spectrum of argon

The argon L X-ray spectrum produced by 100 keV protons is presented. A new line, not observed in the electron- produced spectrum, appears at 262 eV is interpreted as a 3d→2p transition. Since the 3d level is normally empty in argon, the data provide the first direct evidence from X-rays following proton bombardment of excitation of electrons to bound states.     

Electronic origin of the unusual thermal properties of copper-based semiconductors:The s-d coupling-induced large phonon anharmonicity

Copper(Cu)-based materials(such as cuprates,Cu chalcogenides,and Cu halides) often exhibit unusual properties such as superconductivity,ultralow thermal conductivity,and superionicity.However,the electronic origin of these unusual behaviors remains elusive.In this study,we demonstrate that the high-lying occupied 3d orbital of Cu causes a strong s-d coupling with its unoccupied 4s state when local symmetry is reduced.This leads to strong phonon anharmonicity and is responsible for these intrigui...     

Rotation-translation coupling effect on intermolecular forces of single crystal of fcc and hcp argon alloys

Rotation-translation coupling (RTC) effects on the intermolecular forces in the form of elastic constants of single crystals of Ar(O₂) alloy for the fcc and hcp structure have been studied. The use of dynamical interactions of the O₂ impurity with host atoms indicated that RTC plays an important role in the intermolecular forces.