Energy levels from lattice defects in AgGaS2

The luminescence of single crystals of AgGaS₂ from shallow centers is studied. As-grown crystals and crystals annealed in S, Ga, or in vacuum, were used. We show that the S vacancy causes a donor level at 50 meV (probably due to a charge state of V_S) and that the cation vacancy (perhaps Ag) introduces an acceptor level at 110 meV. Two other levels are found: a donor level at 30 meV and an acceptor level at 200 meV. Their origin is unknown.     

The surface profile of charge of Si(111)(7×7) obtained with He scattering

Theoretical calculations in good agreement with experimental data of He scattering from Si(111)(7×7) by Cardillo and Becker are presented. From the analysis, it is concluded that (i) the charge distribution in the surface is disposed in two terraces, each one occupying “half” of the reconstructed (7×7) unit cell and separated by a distance of 3.05 Å perpendicular to the surface. The profile of charge on the terraces presents peak to valley oscillations smaller than ～0.3 Å, (ii) there exists a shallow attractive well with a depth D ?-4.2 meV and we infer two bound states ?₀?-3.8 meV and ?₁?-0.7 meV. The “consistency” of our analysis with the proposed models for the (7×7) reconstruction is discussed.     

Temperature-induced transformations in hydrogenated and fluorinated single-wall carbon nanotubes studied by Raman scattering

Raman spectra of hydrogenated and fluorinated single-wall carbon nanotubes (SWCNTs) are measured at ambient temperature before and after heat treatment. The spectra of the as-prepared hydrogenated SWCNTs show a giant structureless band in the visible region that screens the Raman peaks related to the carbon atom vibrations. The onset of this strong band follows the excitation laser line, which is typical of hot luminescence. The intensity of the luminescence background decreases exponentially with the annealing time, while the dependence of the luminescence decay time constant on the annealing temperature is of the Arrhenius type with the activation energy E _a = 465 ± 44 meV. The luminescence background in the Raman spectra of the fluorinated SWCNTs is comparable with the Raman peak intensity and decreases exponentially with the annealing time. The dependence of the decay time constant on the temperature is again of the Arrhenius type with the activation energy E _a = 90 ± 8 meV. The appearance of hot luminescence is related to the upshift of the fundamental energy gap in functionalized SWCNTs and the structural disorder induced by random binding of hydrogen or fluorine atoms. The luminescence background disappears upon annealing in vacuum or in air after removal of hydrogen (fluorine), while the annealed samples still demonstrate large structural disorder.     

How does the substrate affect the Raman and excited state spectra of a carbon nanotube?

We study the optical properties of a single, semiconducting single-walled carbon nanotube (CNT) that is partially suspended across a trench and partially supported by a SiO₂-substrate. By tuning the laser excitation energy across the E ₃₃ excitonic resonance of the suspended CNT segment, the scattering intensities of the principal Raman transitions, the radial breathing mode (RBM), the D mode and the G mode show strong resonance enhancement of up to three orders of magnitude. In the supported part of the CNT, despite a loss of Raman scattering intensity of up to two orders of magnitude, we recover the E ₃₃ excitonic resonance suffering a substrate-induced red shift of 50 meV. The peak intensity ratio between G band and D band is highly sensitive to the presence of the substrate and varies by one order of magnitude, demonstrating the much higher defect density in the supported CNT segments. By comparing the E ₃₃ resonance spectra measured by Raman excitation spectroscopy and photoluminescence (PL) excitation spectroscopy in the suspended CNT segment, we observe that the peak energy in the PL excitation spectrum is red-shifted by 40 meV. This shift is associated with the energy difference between the localized exciton dominating the PL excitation spectrum and the free exciton giving rise to the Raman excitation spectrum. High-resolution Raman spectra reveal substrate-induced symmetry breaking, as evidenced by the appearance of additional peaks in the strongly broadened Raman G band. Laser-induced line shifts of RBM and G band measured on the suspended CNT segment are both linear as a function of the laser excitation power. Stokes/anti-Stokes measurements, however, reveal an increase of the G phonon population while the RBM phonon population is rather independent of the laser excitation power.     

Exchange energy for conduction electrons in (ZnMn)Se derived from spin-flip Raman scattering and magnetization

Spin-flip Raman scattering, magnetization, and susceptibility data for Zn_0.97Mn_0.03Se are reported. The exchange energy N_oα = 243 ± 10 meV for the conduction electrons is obtained from an analysis of the Raman and magnetization data. At large magnetic fields (H > 60 kOe), the spin-flip energy ΔE saturates at 14 meV. At low fields ΔE does not extrapolate to zero as H → 0, which is characteristic of scattering from donor-bound electrons. The low temperature magnetization curves are fit to a modified Brillouin function. The fit gives $\text{x}\text{?}\text{/x}\text{= 0.67}$ as the fraction of active magnetic ions, and an effective temperature T_eff = T + T_o with T_o = 1.1 K. The magnetic susceptibility follows a Curie-Weiss law between T = 150 and 280 K with a Curie-Weiss temperature θ = ?33 K.     

γ-LiAlO2上a面ZnO薄膜的光谱特性研究

利用激光脉冲沉积(PLD)技术在(302)γ-LiAlO₂衬底上成功生长了非极性的a面(1120)ZnO薄膜,光致发光谱(PL)带边发射峰半峰宽仅为115meV.研究了非极性ZnO薄膜光谱特性的面内各向异性,发现随着入射光偏振方向改变,在偏振透射光谱上,吸收边移动了20meV,这与A、B激子和C激子的能量差一致;而在拉曼光谱上,激发光偏振方向的改变导致E₂模式的强度发生明显改变. 关键词： 非极性ZnO 2')" href="#">γ-LiAlO₂ PLD     

The determination of crystal field levels in the intermetallic compound HoRh by inelastic neutron scattering

Inelastic neutron time of flight measurements have been carried out on the intermetallic compound HoRh at different temperatures. Well resolved transitions between crystal field levels were observed at 4.0 and 9.7 meV. The complete crystal field level scheme was deduced and the crystal field parameters were found to be A₄⁰ 〈r⁴〉 = ?10.98 meV and A₆⁰ 〈r⁶〉 = ?1.59 meV. These values deviate considerably from point charge estimates.     

Raman scattering studies of spin‐waves in hexagonal BaFe12O19

We present the results of polarized Raman spectroscopy of hexagonal BaFe₁₂O₁₉ single crystal. The spectra, recorded from 200 to 800 cm^–1 and 1100 to 1700 cm^–1 in the 20–250 K temperature range, are analyzed on the basis of both crystal vibrations and spin‐waves. In the low wavenumber range, the Γ‐point phonons are observed. In the high wavenumber range, phonon mixings are observed; more interestingly, four modes of spin‐waves are identified in hexagonal BaFe₁₂O₁₉. Both have not been studied previously. Our analyses of the spin‐waves provide an optical method for quantitatively estimating the spin exchange interactions in hexagonal BaFe₁₂O₁₉. The four strong exchange integrals are found to have the values of J_ce = 1.31 meV, J_ae = 1.36 meV, J_cd = 1.46 meV, and J_bd = 1.71 meV. Our results also indicate that at ~200 and ~80 K, there would be additional spin‐ordering transitions in hexagonal BaFe₁₂O₁₉. Copyright © 2012 John Wiley & Sons, Ltd.     

Nature of the low-temperature anomalies in the physical properties of the intermediate-valent compound SmB6

The transport properties (Hall coefficient, thermopower, and resistivity) of high-quality single-crystal samples of the classical mixed-valent compound SmB₆ are investigated over a broad temperature range (1.6–300 K) in magnetic fields up to 45 T for the first time following the quasioptical measurements in the 0.6–4.5 meV frequency range [B. Gorshunov, N. Sluchanko, A. Volkov et al., submitted to Phys. Rev. B (1998)]. Measurements in the intrinsic conduction region permit determination of the gap width E _g ≈20 meV and evaluation of the behavior of the mobility and concentration of light and heavy charge carriers, as well as the temperature dependence of the carrier relaxation time, in samarium hexaboride. The results of experimental investigations in the “impurity” conduction region (E _ex≈3.5 meV) are discussed within the Kikoin-Mishchenko exciton-polaron model of charge fluctuations. Arguments supporting the formation of a metallic state with an electron-hole liquid in SmB₆ at liquid-helium temperatures are presented. Zh. éksp. Teor. Fiz. 115, 970–978 (March 1999)     

Raman scattering in the magnetically frustrated double perovskite Sr2YRuO6

The spin correlations and excitations of the Sr₂YRuO₆ double perovskite are investigated by means of Raman scattering, complemented by synchrotron X‐ray diffraction measurements. Anomalous softening of a breathing mode of the oxygen octahedra is observed below ~200 K, much above the long‐range antiferromagnetic ordering temperature, T_N1 = 32 K, due to a spin‐phonon coupling mechanism in the presence of magnetic correlations. A diffusive Raman signal is also observed, possibly associated with spin excitations within magnetically correlated regions. Our results point to a characteristic energy and temperature scale of ~25 meV/200 K below which unusual behavior associated with magnetic correlations is observed in this material. Copyright © 2013 John Wiley & Sons, Ltd.     

Effect of pressure and mechanical stress on the electronic properties of AlN and GaN

The fundamental properties of the AlN and GaN compounds with a wurtzite structure under external hydrostatic pressure, uniaxial mechanical stress σ_⊥ along the hexagonal axis, and biaxial mechanical stress σ_⊥ in the basal plane of the unit cell have been considered in terms of first-principles calculations in the frame-work of the density functional theory. The pressures of the phase transitions from the structures of wurtzite and zinc blende to the structure of rock salt have been obtained. The behavior of the structural parameters, interband transitions, and positions of the charge neutrality level has been investigated. The calculated pressure coefficients of the band gap are as follows: ∂E _g /∂p = 40.9 meV/GPa, −∂E _g /∂σ _| = −4.2 meV/GPa, and −∂E _g /∂σ _⊥ = 45.2 meV/GPa for AlN and ∂E _g /∂p = 33.0 meV/GPa, −∂E _g /∂σ _| = 23.6 meV/GPa, and −∂E _g /∂σ _⊥ = 9.6 meV/GPa for GaN. The pressure coefficients of the charge neutrality level in almost all cases are substantially smaller than the corresponding values obtained for the band gap E _g .     

Studies on the complex behavior of optical phonon modes in wurtzite (ZnO)1−x (Cr2O3) x

This paper reports on the use of phonon spectra obtained with laser Raman spectroscopy for the uncertainty concerned to the optical phonon modes in pure and composite ZnO_1?x (Cr₂O₃) _x . Particularly, in previous literature, the two modes at 514 and 640 cm^?1 have been assigned to ZnO are not found for pure ZnO in our present study. The systems investigated for the typical behavior of phonon modes with 442 nm as excitation wavelength are the representative semiconductor (ZnO)_1?x (Cr₂O₃) _x (x = 0, 5, 10 and 15 %). Room temperature Raman spectroscopy has been demonstrated polycrystalline wurtzite structure of ZnO with no structural transition from wurtzite to cubic with Cr₂O₃. The incorporation of Cr³⁺ at most likely on the Zn sub-lattice sites is confirmed. The uncertainty of complex phonon bands is explained by disorder-activated Raman scattering due to the relaxation of Raman selection rules produced by the breakdown of translational symmetry of the crystal lattice and dopant material. The energy of the E ₂ (high) peak located at energy 53.90 meV (435 cm^?1) due to phonon–phonon anharmonic interaction increases to 54.55 meV (441 cm^?1). A clear picture of the dopant-induced phonon modes along with the B ₁ silent mode of ZnO is presented and has been explained explicitly. Moreover, anharmonic line width and effect of dislocation density on these phonon modes have also been illustrated for the system. The study will have a significant impact on the application where thermal conductivity and electrical properties of the materials are more pronounced.     

Excitation spectroscopy,Raman scattering and the temperature dependence of the luminescence in highly excited red HgI2

The luminescence of red HgI₂ is investigated as a function of temperature, excitation intensity and wavelength. At high excitation intensity and low temperature an “M-band” emission dominates. This M-band is assigned to biexciton decay and bound exciton scattering with acoustic phonons (“acoustic wing”), this assumption being supported by the results of excitation spectroscopy. The energy of the biexciton is determined to be (4661 ± 1) meV. From the evaluation of Raman spectra, the phonon energies (1.9, 3.1 and 14.0 ± 0.2) meV are found. At higher temperatures two lines are observed, one of which is ascribed to exciton-free carrier scattering. Position and line shape are in good agreement with theoretical results. The other emission line is found to be due to scattering involving excitons or carriers bound to lattice defects.     

Raman scattering in organic superconductor (BEDT-TTF)2 I 3: A model study

An interpretation of the Raman data of the organic superconductor (BEDT-TTF)₂ I ₃ is given, based on the modified charge bag model for superconductivity. The Raman intensities are calculated at zero temperature both in the normal as well as the superconducting (SC) states. The scattering due to charge carriers as well as the phonons are taken into account. The results show a constant intensity background which reduces on going from the normal to the superconducting state. Similarly, the loss of intensity, broadening and softening of the frequency of a low lying phonon on going from the normal to the SC state are predicted. All these features are in qualitative agreement with the observed Raman data.     

Raman Excitation Profile of the G-band Enhancement in Twisted Bilayer Graphene

A resonant Raman study of twisted bilayer graphene (TBG) samples with different twisting angles using many different laser lines in the visible range is presented. The samples were fabricated by CVD technique and transferred to Si/SiO₂ substrates. The Raman excitation profiles of the huge enhancement of the G-band intensity for a group of different TBG flakes were obtained experimentally, and the analysis of the profiles using a theoretical expression for the Raman intensities allowed us to obtain the energies of the van Hove singularities generated by the Moiré patterns and the lifetimes of the excited state of the Raman process. Our results exhibit a good agreement between experimental and calculated energies for van Hove singularities and show that the lifetime of photoexcited carrier does not depend significantly on the twisting angle in the range intermediate angles (?? between 10^° and 15^°). We observed that the width of the resonance window (Γ ≈ 250 meV) is much larger than the REP of the Raman modes of carbon nanotubes, which are also enhanced by resonances with van Hove singularities.     

Pseudogap behavior in Pr0.5Sr0.5MnO3: A photoemission study

The valence band electronic structure of Pr_0.5Sr_0.5MnO₃ has been investigated across its paramagnetic metallic (PMM)–ferromagnetic metallic (FMM)–antiferromagnetic insulator (AFMI) transition. Using surface sensitive high resolution photoemission we have conclusively demonstrated the presence of a pseudogap of magnitude 80 meV in the near Fermi level electronic spectrum in the PMM and FMM phases and finite intensity at the Fermi level in the charge ordering (CO)-AFMI phase. The pseudogap behavior is explained in terms of the strong electron–phonon interaction and the formation of Jahn Teller (JT) polarons, indicating the charge localizations. The finite intensity at the Fermi level in the insulating phase showed a lack of charge ordering in the surface of the Pr_0.5Sr_0.5MnO₃ samples.     

Phonon spectra of stoichiometric rare-earth compound of EuGa2S4

Investigations of EuGa₂S₄ have been done on the photoluminescence (PL) related to the transition between 4f⁶5d and 4f⁷ configuration of the Eu²⁺ ion and its excitation (PLE) spectra, Raman scattering and infrared absorption. The energies of phonons coupled to the ground and the excited states of the transition are analyzed to be 34 and 19 meV from the shapes of the PL and PLE bands, respectively. The former corresponds to the energy of the Raman line showing the highest intensity. The latter is close to the value obtained from analysis of the temperature dependence of the half width of the PL band. These correspondences indicate that the relevant emission of EuGa₂S₄ surely has phonon-terminated character.     

Direct evidence for controlled band filling in the mixed crystal NMPxPhen1−xTCNQ

Raman spectra of the segregated stack mixed crystal NMP_xPhen_1?xTNCQ and the mixed stack compound Phen TCNQ are presented. By means of the relation between charge transfer and line shift, we give for the first time a direct proof for controlled band filling in the mixed crystal series, whereas for Phen TCNQ a zero charge transfer is obtained. Raman spectra of Phenazine and the related NMP⁺ have also been measured and used for comparison.     

Magnetization and spin-flip energy in Cd0.9Mn0.1Se

Magnetization and spin-flip Raman measurements are reported for Cd_1?xMn_xSe, x = 0.106, at 1.9 < T < 4.2 K and magnetic fields H up to 80 kOe. The high-field results are combined to determine the exchange energy between donor electrons and Mn⁺⁺ spins, αN₀=261±13 meV. Empirical fits to the magnetization data are described.     

The Raman Spectrum of The 3-Br Pyridine-Bromine Charge Transfer Complex

The formation of a charge transfer complex between pyridine and halogens or mixed halogens^(1,2) brings about perturbations in the infrared spectra of the pyridine molecule and many halogen complexes show two bands in the low frequency range, which can be attributed to the v _X-X and v _N…Y stretching vibrations. ^(3–5). However, by comparison, very little has been reported on the Raman spectra of such complexes. Klaboe⁽⁶⁾ studied the v _Br-Br Raman frequency of some bromine complexes and more recently the Raman spectra of pyridine complexed with Ni (CN)₄ ⁽⁷⁾ and TiCl₄ ⁽⁸⁾ have been reported. In this work, the Raman spectrum of the 3-Br pyridine-bromine charge transfer complex is investigated.