Spectroscopic nuclear quadrupole moments

A ‘year-2001’ set of nuclear quadrupole moments, Q, is presented. Compared to the previous, ‘year-1992’ set, a major revision of the value or a considerable improvement of the accuracy is reported for ⁶ ₃Li, ₇N, ¹⁹ ₉F (197 keV, I = 5/2), ₁₁Na, ₁₃Al, ₂₁Sc, ₂₂Ti, ₂₆Fe (14 keV, I = 3/2 Mössbauer state), ₃₁Ga, ₃₂Ge, ⁷⁷ ₃₄Se (250 keV, I = 5/2 state), ₃₅Br, ₃₆Kr, ₃₇Rb, ₃₉Y, ₄₀Zr, ¹⁰⁰ ₄₅Rh, ₅₀Sn (24 keV, I = Mössbauer state), ₅₃I, ₅₄Xe, ₅₅Cs and ₈₃Bi.     

The evaluation of half-lives and other decay data used in nuclear astrophysics and cosmochronology

The current status of some decay data used in nuclear astrophysics and cosmochronology is presented. The half-life of ⁷⁹Se has been evaluated as 3.6(3) × 10⁵ yr. The total energy of non-neutrino radiation released in act of ³⁷Ar decay has been obtained being 2.709 (16) keV per disintegration. The recommended half-life values of the long-lived radionuclides (T _1/2 ≳ 10⁶ yr) of ²⁶Al, ⁴⁰K, ⁵³Mn, ⁶⁰Fe, ⁸⁷Rb, ⁹³Zr, ⁹⁸Tc, ¹⁰⁷Pd, ¹²⁹I, ¹³⁵Cs, ¹⁴⁶Sm, ¹⁷⁶Lu, ¹⁸²Hf, ¹⁸⁷Re, ²⁰⁵Pb, ²³²Th, ²³⁵U, ²³⁸U, ²⁴⁴Pu, and ²⁴⁷Cm are given based on the evaluations published until 2010.     

The formation of,and the γ-radiation from,the p-shell hypernuclei

The physical factors relevant for the production of various low-lying Λ-hypernuclear states ${}_{\mathrm{\Lambda }}{}^{\mathrm{A}}\text{Z}{}^1$ through the K^? → π^? and K^? → π⁰ reactions, in flight or from rest, on the corresponding target nuclei ^AZ and ^A(Z + 1) are discussed, on the basis of the shell model for these nuclei and hypernuclei, together with the characteristics of the dominant γ-transitions resulting from the excited states thus produced. Detailed consideration is given for a number of hypernuclei of specific interest, including the cases of _Λ⁷He, _ΛLi for A = 7, 9 and 10, _ΛBe for A = 9 and 10, _ΛB for A = 10, 11, and 12, _ΛC for A = 12, 13, 14, and 15, _ΛN for A = 14 and 15, and _Λ¹⁶O. The importance of (γ, π^?) correlation studies for the determination of hypernuclear spin values is stressed, with the discussion of several examples.     

High-resolution infrared spectroscopy of NNO and NNO in the 1200–3500 cm region

We present a continuation of our investigation of the second most abundant isotopic species of nitrous oxide, ¹⁴N¹⁵N¹⁶O and ¹⁵N¹⁴N¹⁶O, in the infrared (IR). Our two previous contributions looked at the 3500–9000 cm⁻¹ region for ¹⁴N¹⁵N¹⁶O and ¹⁵N¹⁴N¹⁶O, respectively, in the 3500–9000 cm⁻¹ region. The use of highly enriched isotopologue samples in this study allowed us to go further into the IR, down to 1200 cm⁻¹. A total of 2 2742 transitions have been assigned based on the effective Hamiltonian model, with 108 of them being reported here for the first time. Rovibrational analyses of 98, 101, 8, 3, 6, 1 and 1 bands for the ¹⁴N¹⁵N¹⁶O, ¹⁵N¹⁴N¹⁶O, ¹⁵N¹⁵N¹⁶O, ¹⁴N¹⁵N¹⁸O, ¹⁵N¹⁴N¹⁸O, ¹⁴N¹⁵N¹⁷O and ¹⁵N¹⁴N¹⁷O isotopologues, respectively, were also performed.     

Nonstatistical structures in the excitation functions of20Ne(16O,12C)24Mg and20Ne(16O,20Ne)16O reactions

The data on the excitation functions of²⁰Ne(¹⁶O,¹²C)²⁴Mg,²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(1.37, 2⁺),²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(4.12, 4⁺+4.24, 2⁺) +²⁰Ne(¹⁶O,¹²C^*(4.44, 2⁺))²⁴Mg,²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(6.01, 4⁺+6.43, 0⁺),²⁰Ne(¹⁶O,²⁰Ne)¹⁶O,²⁰Ne(¹⁶O,²⁰Ne^*(1.63, 2⁺))¹⁶O, and²⁰Ne(¹⁶O,²⁰Ne^*(4.25, 4⁺))¹⁶O reactions atθ _lab=13° fromE _c.m.=22.8 to 38.6 MeV have been subjected to a statistical analysis comprising of the calculations of the distribution of cross sections, deviation functions, cross-correlation functions, summed excitation functions, cross-channel correlation coefficients and coherence widths. The analysis confirms the existence of nonstatistical structures atE _c.m.=24.6, 27.8, 31.7 and 35.5 MeV, and identifies a new structure of the same nature atE _c.m. =25.6 MeV.     

Evaluation of optical parameters of some tellurite glasses

Evaluation of optical parameters of tellurite glasses in the form: 80TeO₂-5TiO₂-(15-x) WO₃-xA_nO_m, where xA_nO_m = 0.01, 1, 3, 5 Nb₂O₅ or 0.01, 0.1, 1, 3 Nd₂O₃ or 0.01, 0.1, 1, 3, 5, 7 Er₂O₃ mol% will be carried out. The optical parameters will be focused on calculating molar refractivity, molar polarizability, oxide ion polarizability, molar cation polarizability, optical basicity, metallization and number of polarizable atoms per unit volume for every glass composition in order to interpret the refractive index of these glasses.     

Optical-Oscillator strengths for Ca X,Sc XI,Ti XII,Cu XIX,Zn XX,Br XXV and Kr XXVI

Summary We have applied the Tiwary approach to calculate the opticaloscillator strengths, of both the length and velocity forms, for the inner-shell excitation1s ² 2s ² 2p ⁶ 3s ² S ^e →1s ² 2s ² 2p ⁵ 3s ^{2 2} P ⁰ transition in Ca X, Sc XI, Ti XII, Cu XIX, Zn XX, Br XXV and Kr XXVI ions of the sodium isoelectronic sequence employing Hartree-Fock (HF) and configuration interaction (CI) wave functions of both the initial and final states involved in the transition. Our present calculated results demonstrate that the Tiwary approach is capable of yielding encouraging results. A part of this work was done while the author was Research Director and Professor, CNRS Laboratory, University of Paris-Sud and Observatoire de Paris, Meudon, Paris, France.     

Computer modeling of MWIR single heterojunction photodetector based on mercury cadmium telluride

In the present paper, an abrupt heterojunction photodetector based on Hg_1 − xCd_xTe (MCT) has been simulated theoretically for mid-infrared applications. A semi-analytical simulation of the device has been carried out in order to study the performance ratings of the photodetector for operation at room temperature. The energy band diagram, carrier concentration, electric field profile, dark current, resistance–area product, quantum efficiency and detectivity have been calculated and optimized as a function of different parameters such as device thickness, applied reverse voltage and operating wavelength. The effect of energy band offsets in conduction and valance band on the transportation of minority carriers has been studied. The influences of doping concentration, electron affinity gradient and the p–n junction position within heterostructure on potential barrier have been analyzed. The optical characterization has been carried out in respect of quantum efficiency, and detectivity of the heterojunction photodetector. In present model the Johnson–Nyquist and shot noise has been considered in calculation of detectivity. The simulated results has been compared and contrasted with the available experimental results. Results of our analytical-cum-simulation study reveal that under suitable biasing condition, the photodetector offers a dark current, I_D ≈ 6.5 × 10⁻¹² A, a zero-bias resistance–area product, R₀A ≈ 11.3 Ω m², quantum efficiency, η ≈ 78%, NEP = 2 × 10⁻¹² W Hz^1/2 and detectivity D^* ≈ 4.7 × 10¹⁰ mHz^1/2/W.     

Dunham energy parameters of isotopic carbon monoxide,hydrogen halide,and hydroxyl radical molecules

Dunham potential energy coefficients a₁-a₆ for ¹²C¹⁶O, ¹³C¹⁶O, ¹²C¹⁸O, H⁸¹Br, HI, and OH have been calculated, including error limits, from published experimental spectroscopic data. There is no indication of deviation from Born-Oppenheimer behavior for a₁-a₆ of the carbon monoxide molecules, and the mass-independent internuclear separation R_e and force constants k_e and a₀ have also been calculated.     

ESR identification of a new N2− defect in X-ray irradiated NaN3

A relatively weak ESR spectrum is observed in single crystals of NaN₃ after X-ray irradiation at 77 K. This spectrum, which has an anisotropic g value and exhibits a resolved 5-line hyperfine structure with components in the ratio 1:2:3:2:1, corresponds to a single unpaired electron interacting symmetrically with two spin-one nuclei, in three inequivalent sites. The spin-Hamiltonian parameters are: g_x = 2.0054 ± 0.0005, g_y = 2.0045 ± 0.0005, g_z = 1.9688 ± 0.0005, |A_x| = 4.0 ± 0.2 G, |A_y| = 20.0 ± 0.2 G, and |A_z| = 4.9 ± 0.2 G, c-axis, and y is perpendicular to the c-axis. This spectrum, which is clearly different from that of substitutional N₂^?reported by Gelerinter and Silsbee, is attributed to interstitial N₂^?.     

Thermal stability and electrical conductivity of multiferroics BiFeO<Subscript>3</Subscript>/REEs

Ceramic samples of bismuth ferrite and solid solutions of Bi_{1 − x} A _x FeO₃ type (where A = Lu, Yb, Tm, Er, Ho, Dy, Tb, Gb, Eu, Sm, Nd, Pr, La; 0.05 ≤ x ≤ 0.20; Δx = 0.05) were prepared. Spectra of the real part of electrical conductivity were studied within the range 10⁻⁴–10⁻⁶ Hz. The dependence of the samples’ thermal stability and electrical conductivity on the size of the substituting ions was established.     

Gamma-ray spectroscopy of 64Zn and 65Zn and the role of the g92 orbital

Measurements of γ-ray excitation functions, γ-γ coincidence spectra and γ-ray angular distributions have been made. following the reactions ⁶¹Ni(α, n)⁶⁴Zn, ⁶²Ni(α, n)⁶⁵Zn, ⁵⁶Fe(¹⁴N, αnp)⁶⁴Zn, ⁵⁶Fe(¹²C, 2pn)⁶⁵Zn, and ⁵⁴Fe(¹²C, 2p)⁶⁴Zn. Among the new levels observed in ⁶⁴Zn are those at 5624 keV, 6765 keV, 6940 keV, and 6124 keV, the last one with a suggested assignment of (9^?). In ⁶⁵Zn. ten new levels probably in the positive-parity chain, with spin up to ($\text{21}\text{2}$), and a few others, have been found. Comparison of the ⁶⁵Zn positive-parity levels with the ⁶⁴Zn ground-state band supports the concept of a single neutron in the $\text{g}{}_{\mathrm{<mtext>9</mtext><mtext>2</mtext>}}$ orbital weakly coupled to a core essentially identical to ⁶⁴Zn. Many high-spin states in ⁶⁴Zn itself can be aggregated into bands whose band heads are suggestive of two-quasiparticle states involving one $\text{g}{}_{\mathrm{<mtext>9</mtext><mtext>2</mtext>}}$ excitation.     

High sensitivity CW-Cavity Ring Down Spectroscopy of N2O near 1.5 μm (II)

We present the second part of the investigation of the high sensitivity absorption spectrum of nitrous oxide by CW-Cavity Ring Down Spectroscopy near 1.5 μm. In a first paper [A.W. Liu, S. Kassi, P. Malara, D. Romanini, V.I. Perevalov, S.A. Tashkun, S.M. Hu, A. Campargue, J. Mol. Spectrosc. 244 (2007) 33-47] devoted to the 6000-6833 cm⁻¹ region, more than 6000 line positions of five isotopologues (¹⁴N₂¹⁶O, ¹⁵N¹⁴N¹⁶O, ¹⁴N¹⁵N¹⁶O, ¹⁴N₂¹⁷O, and ¹⁴N₂¹⁸O), were rovibrationally assigned to a total of 68 bands. The achieved noise equivalent absorption (α_min ∼ 2 × 10⁻¹⁰ cm⁻¹) allowed for the detection of lines with intensity weaker than 2 × 10⁻²⁹ cm/molecule. In this contribution, the investigated region was extended down to 5905 cm⁻¹ and additional recordings allowed accessing small spectral sections uncovered in our preceding recordings. A deeper analysis based on the predictions of the effective Hamiltonian model has allowed assigning a total of 3149 transitions and lowering the percentage of lines left unassigned from 51% to 28%. It led to the analysis of 35, 6, 7, and 6 bands for the ¹⁴N₂¹⁶O, ¹⁵N¹⁴N¹⁶O, ¹⁴N¹⁵N¹⁶O, and ¹⁴N₂¹⁸O isotopologues, respectively. Forty-two of these 54 bands are newly observed, while the rotational analysis of the twelve others is significantly extended and improved. Most of the bands were found unperturbed and their line positions could be reproduced within the experimental uncertainty (about 1 × 10⁻³ cm⁻¹). The corresponding spectroscopic parameters are reported. Local rovibrational perturbations induced by either intrapolyad or interpolyad couplings were found to affect five hot bands of ¹⁴N₂¹⁶O. Their detailed analysis is presented.     

Physical states and BRST operators for higher-spin <Emphasis Type="Italic">W</Emphasis> strings

In this paper, we mainly investigate the W _2,s ^M ⊗ W _2,s ^L system, in which the matter and the Liouville subsystems generate the W _2,s ^M and W _2,s ^L algebras, respectively. We first give a brief discussion of the physical states for the corresponding W strings. The lower states are given by freezing the spin-2 and spin-s currents. Then, introducing two pairs of ghost-like fields, we give the realizations of the W _1,2,s algebras. Based on these linear realizations, the BRST operators for the W _2,s algebras are obtained. Finally, we construct new BRST charges of the Liouville system for the W _2,s ^L strings at the specific values of the central charges c: for the W _2,3^L algebra, c=−24 for the W _2,4^L algebra and for the W _2,6^L algebra, at which the corresponding W _2,s ^L algebras are singular.     

Microwave spectrum,centrifugal distortion constants,and quadrupole coupling constants of 3-chloropyridine

The microwave spectrum of 3-chloropyridine has been measured in the frequency region of 8.2 to 18 GHz. The rotational constants, centrifugal distortion constants, and the quadrupole coupling constants for the ³⁵Cl species are A = 5839.448 ± 0.027 MHz, B = 1604.152 ± 0.005 MHz, C = 1258.327 ± 0.004 MHz, Δ_J = 0.10 ± 0.01 KHz, Δ_JK = 0.36 ± 0.09 KHz, Δ_K = 1.18 ± 0.07 KHz, δ_J = ?0.008 ± 0.005 KHz, δ_K = 0.88 ± 0.20 KHz, χ_aa = ?70.04 ± 0.38 MHz, χ_bb = 36.68 ± 0.19 MHz. The values of rotational constants and quadrupole coupling constants for the ³⁷Cl species are A = 5840.052 ± 0.034 MHz, B = 1559.354 ± 0.01 MHz, C = 1230.739 ± 0.016 MHz, χ_aa = ?54.20 ± 1.26 MHz, χ_bb = 29.49 ± 0.48 MHz. The double bond character in the CCl bond is found to be 2%. The smaller than expected value of rotational constant A points to a “fattening” of the pyridine ring about the a-axis in contrast to 2-chloropyridine, where no such substitution effect was observed.     

Photodisintegration of 4He and the Supermultiplet Potential Model of Cluster-Cluster Interactions

p+³H and p+³He elastic collisions are described in terms of a supermultiplet model with [ƒ]-dependent potentials. The phase shifts δ ^[ƒ] _L,t,S (E) with [ƒ] = [4], t = S = 0, L = even are reconstructed from the observable nuclear phase shifts δ _L,S (E) of the above collisions. So, the initial-state interaction V ^[4] _L,0,0 (R) of the ⁴He +Υ→³H +p(³He +n) reaction can be found unambiguously, while the final-state interaction V ^[31] _{L, 1, 0} (R) is defined by the observablesδ _L,0 (E) of p+³He scattering. The data on the proton momentum distribution in ⁴He and on the charge-exchange reaction ³H +p→³He +n confirm the model. In calculating the above photonuclear reactions, in addition to the initial-state and final-state antisymmetrizations, preserving the corresponding symmetry [ƒ], the nucleon-nucleon correlations in the ³H (³He) subsystem were also taken into account. The results are in good agreement both with recent experimental data and theoretical investigations by sofianos, Fiedeldey, and Sandhas, who followed a rather different approach. Received August 5, 1994; revised November 30, 1994; accepted for publication December 30, 1994     

Stereoelectronic properties of photosynthetic and related systems: Ab initio configuration interaction calculations on the ground and lower excited singlet and triplet states of magnesium chlorin and chlorin

Ab initio configuration interaction wavefunctions and energies are reported for the ground state and many low-lying singlet and triplet states of magnesium chlorin and chlorin, and are employed in an analysis of the electronic absorption spectra of these systems.In chlorin, the calculated visible spectrum consists of two ${}^1\text{(π, π}{}^1\text{)}$ states, the lower energy, y-polarized state exhibiting moderate absorption intensity in contrast to the very weak absorption of the higher energy x-polarized state. The configurational composition of both states is well described by the four-orbital model. Five ${}^1\text{(π, π}{}^1\text{)}$ states are responsible for the Soret band envelope. A moderately intense y-state lies under the low energy edge of the band envelope, while two x-polarized states of moderate and strong intensity, respectively, are responsible for the band maximum. The final two ${}^1\text{(π, π}{}^1\text{)}$ states lie at the high energy edge of the Soret band and introduce a measure of asymmetry into the band envelope. Two ${}^1\text{(n, π}{}^1\text{)}$ states of very weak oscillator strength are also found in this region of the spectrum. All the Soret states are of complex configurational composition, and several of the higher lying states contain contributions from doubly excited configurations.The calculated visible spectrum of magnesium chlorin also consists of two ${}^1\text{(π, π}{}^1\text{)}$ states, with the weakly absorbing x-polarized state lying approximately 200 cm^?1 lower in energy than the moderately intense y-polarized state. The configurational composition of both states is well described by the four-orbital model. Four ${}^1\text{(π, π}{}^1\text{)}$ states constitute the bulk of the intensity in the Soret band envelope. In distinction to chlorin, the moderately intense ${}^1\text{(π, π}{}^1\text{)}$ state at the low energy edge of the band envelope is x-polarized. Two intense ${}^1\text{(π, π}{}^1\text{)}$ states of y- and x-polarization, respectively, constitute the band maximum region, and a single x-polarized state of moderately strong intensity can be assigned to the high energy shoulder of the band envelope. Two other weakly absorbing ${}^1\text{(π, π}{}^1\text{)}$ states are also found in this region, along with another weakly absorbing state of mixed in-plane and out-of-plane polarization. No clearly defined ${}^1\text{(n, π}{}^1\text{)}$ states are observed. As was the case for chlorin, all the Soret states are of complex configurational composition, and some of the higher energy states contain significant contributions from doubly excited configurations.Chlorin and magnesium chlorin both possess three ${}^3\text{(π, π}{}^1\text{)}$ states which lie below S₁ and a single ${}^3\text{(π, π}{}^1\text{)}$ which lies slightly above S₂. All four of the low-lying ${}^3\text{(π, π}{}^1\text{)}$ states in each molecule are well described by the four-orbital model, with T₁ being essentially a single configuration in each case. The remainder of the ${}^3\text{(π, π}{}^1\text{)}$ states are clustered in the same energetic region as the comparable ${}^1\text{(π, π}{}^1\text{)}$ Soret states, with comparably complex configurational compositions.Dipole moments and charge distributions for low-lying singlet and triplet states are also reported, and are used to rationalize chemical reactivity characteristics.     

Electrical and Thermal Transport Properties of n-type Bi6Cu2Se4O6 (2BiCuSeO + 2Bi2O2Se)

New thermoelectric materials, n-type Bi₆Cu₂Se₄O₆ oxyselenides, composed of well-known BiCuSeO and Bi₂O₂Se oxyselenides, are synthesized with a simple solid-state reaction. Electrical transport properties, microstructures, and elastic properties are investigated with an emphasis on thermal transport properties. Similar to Bi₂O₂Se, it is found that the halogen-doped Bi₆Cu₂Se₄O₆ possesses n-type conducting transports, which can be improved via Br/Cl doping. Compared with BiCuSeO and Bi₂O₂Se, an extremely low thermal conductivity can be observed in Bi₆Cu₂Se₄O₆. To reveal the origin of low thermal conductivity, elastic properties, sound velocity, Grüneisen parameter, and Debye temperature are evaluated. Importantly, the calculated phonon mean free path of Bi₆Cu₂Se₄O₆ is comparable to the interlayer distance for BiO─CuSe and BiO─Se layers, which is ascribed to the strong interlayer phonon scattering. Contributing from the outstanding low thermal conductivity and improved electrical transport properties, the maximum ZT ≈0.15 at 823 K and ≈0.11 at 873K are realized in n-type Bi₆Cu₂Se_3.2Br_0.8O₆ and Bi₆Cu₂Se_3.6Cl_0.4O₆, respectively, indicating the promising thermoelectric performance in n-type Bi₆Cu₂Se₄O₆ oxyselenides.     

The microwave spectrum,structure and nuclear quadrupole coupling constants for stibabenzene

The microwave spectrum of 121-SbC₅H₅, 123-SbC₅H₅, β-dideutero 121-SbC₅H₃D₂ and 123-SbC₅H₃D₂ has been assigned in the region 26.5–40.0 GHz. The respective rotational constants and uncertainties are: A = 4512.69 ± 0.42, B = 1738.00 ± 0.01, C = 1254.51 ± 0.01; A = 4512.84 ± 0.30, B = 1729.80 ± 0.01, C = 1250.22 ± 0.01; A = 4176.18 ± 0.33, B = 1660.94 ± 0.01, C = 1188.15 ± 0.01; A = 4176.60 ± 0.61, B = 1652.94 ± 0.03, C = 1184.03 ± 0.03 (in MHz units). The structure is found to be planar, C_2v in symmetry. The $\text{d(}\text{Sb-C}\text{) = 2.050 ± 0.005}\text{A}\text{?}$ and ∠CSbC = 92.9° ± 1.0°. The nuclear quadrupole coupling constants for the 121 and 123 antimony isotopes are χ_aa = 456.4 ± 4.1 MHz, η = 0.396 ± 0.008, and χ_aa = 583.00 ± 5.3 MHz, η = 0.399 ± 0.008, respectively. Several alternate techniques using the coupling constants as data support a σ-donating property for antimony.     

Fine structure in optical transitions from 3d and 4d core levels to the lower conduction band in Ga-V and In-V compounds

We investigate fine structure in energy derivative reflectance (EDR) spectra near 20–21 eV in GaP, GaAs, and GaSb, and near 18–20 eV in InP, InAs, and InSb. Derived energy values for X^c₁ thresholds in GaP and GaSb, and L^c₁ and X^c₁ thresholds in GaAs, agree well with previous Schottky barrier electroreflectance (ER) results. L-X structure splittings in EDR spectra of InAs and InSb, for which Schottky barrier ER measurements cannot be performed, are 0.29 and 0.44 eV, respectively. Estimates of expected locations of these structures, based on XPS and absorption data and band structure calculations, indicate energy deficits of 0.2 eV for In4d-L^c₁ and 0.5 eV for In4d-X^c₁ transitions, respectively.