Energy band structure and refractive properties of LiRbSO4 crystals

The energy band structure of mechanically free and compressed LiRbSO₄ single crystals is investigated. It is established that the top of the valence band is located at the D point of the Brillouin zone [k = (0.5, 0.5, 0)], the bottom of the conduction band lies at the Γ point, and the minimum direct band gap E _g is equal to 5.20 eV. The bottom of the conduction band is predominantly formed by the Li s, Li p, Rb s, and Rb p states hybridized with the S p and O p antibonding states. The pressure coefficients corresponding to the energies of the valence and conduction band states and the band gap E _g are determined, and the pressure dependences of the refractive indices n _i are analyzed.     

The factors contributing to the band gap bowing of the dilute nitride GaNP alloy

The factors contributing to the band gap bowing of the dilute nitride GaNP are analyzed. It is found that the band gap bowing is due to two factors. One is the coupling interaction between the N level and the Γ conduction band minimum of GaP. The other is the coupling interaction between the N level and the X conduction band minimum of GaP. We also estimate the band gap reduction due to each factor. It is found that the band gap bowing is mainly due to the coupling interaction between the N level and the Γ conduction band minimum of GaP.     

Impurity band conduction in CdHgTe crystals

Electrical conduction at 77 K in Cd_xHg_1−xTe, with the composition x ⩽ 0.2, is by electrons in the conduction band, by holes in the valence band and by holes in the impurity band. In samples with zero energy gap, x < 0.14, electrical conduction by holes in the valence band is comparable to electrical conduction by holes in the impurity band. In the open energy gap CdHgTe, electrical conduction by holes in the valence band is negligible in comparison to electrical conduction by holes in the impurity band. In CdHgTe samples, electrical conduction in the impurity band is described by the “Fermi Glass” model.     

Electronic structure of strained Sin/Gen(001) superlattices

Using the empirical tight binding method we have investigated the electronic properties of the Si_n/Ge_n(001) strained superlattices as a function of the superlattice periodicity and the band misfit. For n ≥ 4 we have found that first and second conduction band states are localized in Si. The hole states localized in Ge appear for n ≥ 4. The difference between the direct and indirect band gaps is reduced from 2.01 eV for bulk Si to 0.01 eV for n=6 which can be considered to be quasi-direct. For the cases n=6 and n=8, the band gap might become direct for large values of band misfit.     

Optical properties of silylene-biphenylene copolymer films

We have measured absorption, photoluminescence, and photoluminescence excitation spectra, and the photoluminescence time response for films of silylene-biphenylene copolymer, ((C₆H₄)₂(Si(CH₃)₂)_m)_n with m=1,2,4, and 6. The excitation spectra clearly reveal that the lowest absorption band in each copolymer consists of two bands, i.e., a band at 4.7 eV and a band of which energy depends on m. Since the latter band is absent in the copolymer with m=1, the former band is attributed to the lowest π−π* transition in biphenylene subunits. The latter band is attributed to the lowest σ−σ* transition in the silylene subunits, considering its dependence on m. In contrast to the result for solution, the peak energy of photoluminescence band is independent of m. The band has a Stokes shift of more than 1 eV and a large band width of 0.5 eV. The time responses of photoluminescence intensity consist of more than two decay components and the intensity decays more slowly at smaller energy. The large Stokes shift is explained as due to excimer formation between biphenylene subunits. In order to explain the energy dependence of time responses, energy migration is discussed.     

Bandgap evolution of GaN1−x As x in the whole composition range

The bandgap evolution of GaN_1?x As _x in the whole composition range is investigated and a model describing its bandgap energy is developed. It is found that the bandgap evolution is due to two factors. One is the interaction between the impurity band and the Γ conduction band or the Γ valence band of the host materials. The other one is the intraband coupling within the conduction band and separately within the valence band. The former is dominant in the As-rich GaNAs and the N-rich GaNAs. The latter plays an important part in the N-rich range and the moderate composition range.     

Absolute photonic band gaps in a two-dimensional photonic crystal with hollow anisotropic rods

The plane-wave expansion method is used to calculate photonic band gaps for two structures with hollow anisotropic tellurium (Te) rods. Both structures are found to have absolute band gaps at the low- and high-frequency regions. Compared with the photonic crystal with solid Te rods, the photonic crystal with hollow Te rods has a large absolute band gap at the high-frequency region: for the triangular lattice of oval hollow Te rods, there is an absolute band gap of 0.058w_e (w_e=2πc/a), and for the square lattice of square hollow Te rods, there is an absolute band gap of 0.056w_e.     

Optical transitions of Ag− centers in alkali halides

Ag^? centers in alkali halides give rise to a strong absorption band in the 300 nm region (formerly called “B band”). Its resolved triplet structure in CsCl suggests that it corresponds to the C band of the isoelectronic In⁺ center. Two very weak bands are found in several alkali halides in the 400 nm region. These new bands are assigned to the A and B transitions of the In⁺-type centers. This is supported by the doublet structure in the A band, and by the temperature dependence of the oscillator strength of the B band. In KCl∶Ag^? the ratios of the oscillator strengths are found to bef _c /f _A =610 andf _c /f _B =3,400 at low temperatures. The energy parameters of Ag^? centers are computed and compared with those of others ²-type centers. The electron-lattice coupling parameters are estimated from the Jahn-Teller splitting of the C band in CsCl and of the A band in KC1. The temperature dependence of the lifetime of the visible fluorescence suggests that a metastable state is involved in the emission process after a C band excitation.     

Dependence of electronic and optical properties of multilayer SiC and GeC on stacking sequence and external electric field

The electronic and optical properties of different stacked multilayer SiC and GeC are investigated with and without external electric field (EEF). The band gaps of multilayer SiC and GeC are found smaller than that of monolayer SiC and GeC due to the interlayer coupling effect. When EEF is applied, the direct band gaps (ΔK–M) of multilayer SiC and direct band gaps (ΔK–K) of multilayer GeC all turn to indirect band gaps (ΔK–G) as the band at the G point drops dramatically toward zero. The imaginary part ε₂(ω)s of multilayer SiC and GeC show that new absorption peaks between 2–5 eV appear when the polarized direction is perpendicular to the layer plane, and new absorption peaks in infrared region appear as the EEF is higher than a certain point when the polarized direction is parallel to the layer plane. Our calculations reveal that different stacking sequences and EEF can provide a wide tunable band structures and optical properties for multilayer SiC and GeC.     

High-resolution stimulated Raman gain spectrum of the ν1 band of SF6

We report rotationally resolved stimulated Raman gain spectra of the ν₁ band of SF₆. The fundamental band exhibits a rigid-rotor type spectrum that is readily fit with a band origin of Δα = 774.5445 and a single rotational term Δβ = ?1.10376 × 10^?4 cm^?1. We also observed and analyzed the ν₁ + ν₆ hotband with band origin at 774.1820 cm^?1. With an experimental resolution of 0.0024 cm^?1 there is no evidence for centrifugal distortion or tensor splitting in either band, although the ν₁ + ν₆ band does exhibit first-order Coriolis splitting as expected.     

Indirekte Band-Band-Stoßrekombination in Germanium

Photoemission from Ge, caused by carrier injection via ap-n-junction was observed at a wavelength about 1 μm at room temperature. The dependence on energy, temperature and carrier density shows, that there appears a high energy tail of a radiative band to band recombination, which cannot be the tail of the usual radiative recombination in Ge. The intensity of the photoemission is proportional ton ² p ². The experimental results are explained as follows: Via indirect band to band Auger-recombination a hole is brought into the split-off band. In this band, the hole reaches thermal equilibrium with the lattice. While it remains in this band, it is able to recombine radiatively with electrons of the conduction band.     

Two Types of Electronic States in One-Dimensional Crystals of Finite Length

Exact and general results on the electronic states in one-dimensional crystals bounded at τ and τ+L, where L=Na, N is a positive integer, and a is the potential period, are presented. Corresponding to each energy band of the Bloch wave, there are N−1 states in the finite crystal whose energies are dependent on L but not on τ and map the energy band exactly. There is always one and only one electronic state corresponding to each band gap of the Bloch wave, whose energy is dependent on τ but not on L. This state is either a constant-energy confined band-edge state or a surface state in the band gap.     

A study of branching ratios of cross sections in the charge symmetric reactions10B(d,p)11B and10B(d,n)11C

High-spin states in¹⁵⁶Er have been populated using the (α, 8n) and (¹⁶O, 4n) reactions. In the ground state band a strong backbending effect was observed atI ^π=12⁺. Four states of a secondK=0 band with spins 9, 11, 13 and 15 were found. This second band depopulates completely into the 8⁺ and 10⁺ members of the ground state band. This is explained by the fact that the upper states of this second band are yrast states and that this band crosses the (gsb)-line atI ?11.     

Characterization of a surface state on TiN(001)

A surface state seen in normal photoemission from TiN(001), at - 2.9 eV relative to the Fermi energy, is associated with the Δ₅ band in the bulk band structure consisting of N p_x/p_y orbitals. As TiN is somewhat ionic, there is a change in the electrostatic potential at the surface and this is large enough to pull a Tamm surface state off the Δ₅ band.     

The decay of174Ta

Levels in¹⁷⁴Hf excited in the decay of¹⁷⁴Ta have been studied. Measurements of gamma-rays, conversion electrons and gamma-gamma-time coincidences were performed. The ground state band, the beta-vibrational band, the gamma-vibrational band with its head at 1226.81 keV, aK=3⁺ band at 1303.42 keV and aK=2^? octupole band at 1308.67 keV were observed. Several 2⁺ levels withK=0 are excited. The mainβ ⁺-branches proceed through allowed or first-forbidden transitions to the 2⁺ and 4⁺ levels of the ground state band. The character of theI ^π=3⁽⁺⁾ ground state of¹⁷⁴Ta is discussed.     

Edge-modified zigzag-shaped graphene nanoribbons: Structure and electronic properties

Control of the band gap of graphene nanoribbons is an important problem for the fabrication of effective radiation detectors and transducers operating in different frequency ranges. The periodic edge-modified zigzag-shaped graphene nanoribbon (GNR) provides two additional parameters for controlling the band gap of these structures, i.e., two GNR arms. The dependence of the band gap E _g on these parameters is investigated using the π-electron tight-binding method. For the considered nanoribbons, oscillations of the band gap E _g as a function of the nanoribbon width are observed not only in the case of armchair-edge graphene nanoribbons (as for conventional graphene nanoribbons) but also for zigzag GNR edges. It is shown that the change in the band gap E _g due to the variation in the length of one GNR arm is several times smaller than that due to the variation in the nanoribbon width, which provides the possibility for a smooth tuning of the band gap in the energy spectrum of the considered graphene nanoribbons.     

Coexistence of type-I and type-II band alignment in Ga(Sb,P)/GaP heterostructures with pseudomorphic self-assembled quantum dots

Band alignment of heterostructures with pseudomorphic GaSb_{1 ? x} P _x /GaP self-assembled quantum dots (SAQDs) lying on a wetting layer was studied. Coexistence of type-I and type-II band alignment was found within the same heterostructure. Wetting layer has band alignment of type-I with the lowest electronic state belonging to the X _XY valley of GaSb_{1 ? x} P _x conduction band, in contrast to SAQDs, which have band alignment of type-II, independently of the ternary alloy composition x. It is shown that type-I-type-II transition is a result of GaP matrix deformation around the SAQD.     

Band structure for some Nb3X compounds

The tight binding method is used to calculate band structure for a number of Nb₃X compounds. The 4d band of the niobium, as well as the s-p bands of the X-atoms, are considered. The transfer and overlap integrals are calculated using tabulated atomic orbitals. The crystal field parameters (CFP) are estimated more carefully, taking into account deviations from a muffin-tin potential. We employ here the independent band approximation in which no interband interaction is considered. This approximation has been proved successful for the V₃Ga case, and it is estimated here that interband interaction may shift some levels up or down by 50 mRy or so, but the overall band-structure does not change. The Fermi level is found to lie in the neighbourhood of three peaks; one belongs to the δ₂(d_xy) band and the two others belong to the π(d_xz, d_yz) band.     

Hydrogen maser atomic beam resonances

Au^? ions at anionic places are formed in gold doped crystals by a reducing treatment withF centers. The ultraviolet absorption consists of 4 bands, which are namedA, B, C, andD in analogy to the isoelectronic centers of the s² type, like Tl⁺. TheB band oszillator strength strongly increases with temperature in accordance with a phonon allowed transition. The ratio of the dipole strength of theC band to that of theA band as a function of the relative position of theB band is compared with Suganos prediction. Zero phonon lines are found at helium temperatures for theA band in NaCl (2,985 Å), KCl (3,068 Å), and KBr (3,145 Å) and for theC band in KCl (2,329 Å). In KCl the Huang-Rhys factor isg=3.4 for theA band. The vibronic structure comes from the relatively large radius 6s ² state of the negative ion. Uniaxial stress splits the zero phonon line. The results definitely agree with the stress splitting behaviour of a degenerateΓ ₁→Γ ₄ transition. Inversion symmetry of the center is confirmed by the absence of a linear Stark effect.     

Electronic structure of SiO2(111) thin film

The electronic structure of (111) surface of β-crystobalite is investigat ed using the empirical tight binding method. Our calculations identify surface states in the conduction band, band gap and valence band. The surface state formed from silicon-s and p_z orbitals, which is believed to account for the structure in the O K excitation spectra, lies in the band gap. It is seen that oxygen adsorption on the surface removes surface states and gives rise to a sharp peak at about — 3.8 eV below the valence band edge.