First-principles study of arsenic impurity clusters in molecular beam epitaxy (MBE) grown HgCdTe

The understanding of the microstructures of the arsenic tetramer , dimer , and singlet of HgCdTe is important to explain the high electrical compensation of molecular beam epitaxy (MBE) samples and the conversion to p-type behavior. The stable configurations were obtained from the first-principles calculations for the arsenic cluster defects [ (n=1, 2, and 4)] in as-grown HgCdTe. According to the defect formation energies calculated under Te-rich conditions, the most probable configurations of , , and have been established. For the optimized and the energy is favorable to combine in a nearest neighboring mercury vacancy , and the corresponding configurations can be used to explain the self-compensated n-type characteristics in as-grown materials. is likely to be more abundant than in as-grown materials, but arsenic atoms are more strongly bounded in than in , thus more substantial activation energy is needed for than that for . The atomic relaxations as well as the structural stability of the arsenic defects have also been investigated.     

Infrared emission spectroscopy and ab initio calculations on VCl

The emission spectrum of VCl has been investigated at high resolution in the 3000-19 400 cm⁻¹ region using a Fourier transform spectrometer. The bands were excited in a high temperature carbon tube furnace by the reaction of vanadium metal vapor and a trace of BCl₃ as well as in a microwave discharge lamp by the reaction of VOCl₃ vapor with active nitrogen. The spectra were recorded using the Fourier transform spectrometer associated with the McMath-Pierce telescope of the National Solar Observatory at Kitt Peak. The analysis of the system of VCl (previously labeled as ) has been extended by analyzing the rotational structure of some additional bands. A rotational analysis of the , , and subbands of the 0-2, 0-1, 0-0, and 1-0 bands, and the subband of the 0-1 and 0-0 bands has been obtained and molecular constants have been extracted. The subband was not identified in any of the assigned bands. The spectroscopic properties of the low-lying electronic states of VCl have been predicted by CASSCF/CMRCI ab initio calculations and the experimental assignments are supported by the ab initio results.     

First CRDS-measurements of water vapour continuum in the 940 nm absorption band

Measurements of near-infrared water vapour continuum using continuous wave cavity ring down spectroscopy (cw-CRDS) have been performed at around 10611.6 and . The continuum absorption coefficients for N₂-broadening have been determined to be and at , and and at , respectively.These results represent the first near-IR continuum laboratory data determined within the complex spectral environment in the 940 nm water vapour band and are in reasonable agreement with simulations using the semiempirical CKD formulation.     

Near-infrared diode laser spectroscopy of the HCSi radical

The , , and band spectra of HCSi radical were investigated by means of near-infrared diode laser spectroscopy to determine precise molecular constants for the and states. The detailed analysis of the rotationally resolved band spectra, studied for the first time in the present investigation, leads to the precise determination of molecular constants for the state associated with the Renner-Teller interaction. We obtained −0.15126663(53) and 495.00698(30) cm⁻¹ as the Renner-Teller parameter ε and the bending vibrational frequency ω₂, respectively. Based on the molecular constants for the and states, the rotational levels of the state were analyzed to obtain molecular constants and information on upper state perturbations. Using the available spectroscopic data, valence force fields for both the and states were estimated to aid in understanding the vibrational energy levels of the HCSi radical.     

The luminescence of Sm in alkaline earth borophosphates

The temperature-dependent luminescence of Sm²⁺ ions in MBPO₅ was studied. At low temperature, Sm²⁺ in this series shows 4f⁶→4f⁶ luminescence with only a single emission line observed for the transition, revealing that only one crystallographic cationic site is available for Sm²⁺ in all the hosts. With increasing temperature, the emission intensity of the transition increases whereas that of the transitions decreases. The transitions of Sm²⁺ were observed in BaBPO₅ and its intensity increases with increasing temperature. At , a broad band of the 4f⁵5d→4f⁶ luminescent transition of Sm²⁺ in SrBPO₅ and BaBPO₅ with maximum at appears due to the thermal population. The lifetime of the transition was recorded at different temperatures, showing a single exponential decay for Sm²⁺ in SrBPO₅ and BaBPO₅ but a non-single-exponential decay in CaBPO₅.     

Time-resolved spectroscopy of Al, Ti, and Mo X pinch radiation using an X-ray streak camera

Time-resolved spectroscopic measurements of the radiation emitted from Al, Ti, and Mo X pinches have been made with time resolution. The radiation is emitted from micropinch plasmas with sizes of order in times in the 10- range. Spectra implied that dense, plasmas were produced, such as a lifetime, 1.5- electron temperature and near solid-density Ti plasma. The experimental systems and analysis methods are described in detail, including line ratio calculations for μm-scale Ti and Al plasmas with ion densities of 10¹⁹-10²⁴ cm⁻³ and electron temperatures.     

MRCI studies on the electronic structure of AlN and AlN, and the electron affinity of AlN

Using multireference configuration-interaction methods and double to triple-zeta basis sets with semidiffuse and polarization functions, potential energies and spectroscopic constants for low-lying doublet, and quartet states of AlN⁻ were calculated. has R_e=3.280 bohr and . lies 0.17 eV above the ground state. Using an estimated electron affinity of 2.1 eV for AlN, four states of AlN⁻ are found to be stable, namely , , , and . Comparisons with the isovalent anions BN⁻ (three stable states) and AlP⁻ (seven stable states) are made. Photo-detachment of an electron from the state of AlN⁻ can lead to an accurate determination of the energy difference between the two close-lying lowest states of AlN, and , predicted here to be 0.09 eV apart.     

Measurement of the 4d-photoionization cross section via two-photon and two-step excitation in sodium

We present a comparison of the photoionization cross sections of the 4d excited levels of sodium by using the two-step resonant laser excitation and by two-photon non-resonant excitation from the ground state. Dye lasers, pumped with a Nd: YAG laser, have been used in conjunction with a thermionic diode ion detector to measure cross sections and the atomic densities as a function of laser energy. By applying the saturation technique, the measured values of the cross sections and atomic densities for the 4d level by two-photon excitation are 12.2(2.4) Mb and , respectively. Where as in the case of two-step excitation, the cross section and number density for the 4d level via 3p level and for the 4d levels via 3p level are determined as 9.6(1.9) Mb, and 12.8(2.5) Mb, , respectively.