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1.
The objective of this work is to study electron-vibrational interaction (EVI) and concentration quenching and their manifestation in experimental photoluminescence spectra of Cu+ ion in various lithium based phosphors namely, Li2SO4, LiNaSO4 and LiKSO4. The main parameters of EVI, such as the Stokes shift, Huang-Rhys factor and zero-phonon line positions, were estimated. The studied systems shows strong electron lattice coupling. The validity of results was established by modeling the shape of the emission spectra, which was found to be in good agreement with experimental photoluminescence spectra. The concentration quenching study is also carried out for these compounds. The studied systems correspond to the nearest neighbor energy transfer mechanism. 相似文献
2.
K. Kholiya S. Verma 《The European Physical Journal B - Condensed Matter and Complex Systems》2011,83(1):23-28
The structural and elastic properties of cerium chalcogenides (CeZ, Z = S, Se, Te) under high pressure have been investigated
by using the potential model considered up to third nearest neighbor interaction. The computed values of B1-B2 phase transition
pressure, equation of state (compression curve), bulk modulus, its first order pressure derivative and elastic constants in
the case of cerium chalcogenides agree well with the experimental results. The present study shows the anomalous behavior
of cerium chalcogenides in comparison to the alkaline earth chalcogenides, due to the presence of Kondo effect and reentrant
valence behavior of Ce in cerium chalcogenides. 相似文献
3.
Pooja Soni Gitanjali Pagare Sankar P. Sanyal M. Rajagopalan 《Journal of Physics and Chemistry of Solids》2012,73(7):873-880
The structural, electronic, elastic and bonding properties of four transition metal carbides, ScC, YC (group III), VC and NbC (group V), have been investigated systematically using the first principles density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange correlation has been used for the calculation of the total energy. The ground state properties, such as equilibrium lattice constant, bulk modulus, are computed and compared with theoretical and experimental data. The electronic and bonding patterns of the two groups of compounds have been analyzed quantitatively and compared with the available data. It is clear from band structures that all the four transition metal monocarbides are metallic in nature. Analysis of elastic constants reveals that the carbides of group III are ductile in nature while those of group V are brittle. 相似文献
4.
Vipul Srivastava Afroj A. KhanM. Rajagopalan Sankar P. Sanyal 《Physica B: Condensed Matter》2012,407(2):198-203
Ab initio calculation on B2-cadmium rare earth (RE), CdRE (RE=La, Ce and Pr) intermetallics has been performed at T=0 K with respect to their structural, electronic and thermal properties. The structural and electronic properties are derived using self-consistent tight binding linear muffin tin orbital method at ambient and at high pressure. Other properties like lattice parameter, bulk modulus, density of states, electronic specific heat coefficient, cohesive energy, heat of formation, Debye temperature and Grüneisen constant for CdRE are also estimated. The RE-f effect can be seen in CdPr in terms of variation in the density of states and opens a possibility of structural instability. A pressure induced variation of Debye temperature is also presented for three cadmium rare earth intermetallics. 相似文献
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6.
The thermodynamic properties of alkaline earth ruthenate ARuO3 (A?=?Ca, Sr, and Ba) perovskites have been investigated for the first time by means of a modified rigid ion model at temperature 1 K?≤?T?≤?300 K. As strong electron–phonon interactions are present in these compounds, the lattice contribution to the specific heat deserves proper attention. The values of specific heat calculated by us have shown remarkably good agreement with corresponding experimental data. We have found that in ARuO3 (A?=?Ca, Sr, and Ba) ruthenate family, Debye temperature increases inversely with the ionic radius of the alkaline earth A cations. In addition, the results on the temperature dependence of thermal expansion coefficient (α), cohesive energy (?), molecular force constant (f), Reststrahlen frequency (υ), Debye temperature (θ D), and Grüneisen parameter (γ) are also reported. 相似文献
7.
Recent observation and theoretical investigations have led to the significance of electrostatic ion cyclotron (EIC) waves
in the electrodynamics of acceleration process. The instability is one of the fundamental of a current carrying magnetized
plasma. The EIC instability has the lowest threshold current among the current driven instabilities. On the basis of local
analysis where inhomogeneities like the magnetic shear and the finite width current channel, have been ignored which is prevalent
in the magnetospheric environment. On the basis of non-local analysis interesting modification has been incorporated by the
inclusion of magnetic shear. In this paper we provide an analytical approach for the non-local treatment of current driven
electrostatic waves in presence of parallel electric field. The growth rate is significantly influenced by the field aligned
electron drift. The presence of electric field enhances the growth of EIC waves while magnetic shear stabilizes the system. 相似文献
8.
The structural phase transition and electronic properties at ambient (B 1-phase) and high pressure (B 2-phase) of heavy rare earth monoantimonides (RESb; RE?=?Ho, Er, and Tm) have been studied theoretically using the self-consistent tight binding linear muffin tin orbital method. These compounds show metallic behavior under ambient condition and undergo a structural phase transition to the B 2 phase at high pressure. We predict a structural phase transition from the B 1 to B 2 phase in the pressure range 30.0–35.0?GPa. Apart from this, the ground state properties, such as lattice parameter and bulk modulus are calculated and compared with the available theoretical and experimental results. 相似文献
9.
The structural and elastic properties of praseodymium monochalcogenides (PrX: X = S, Se, Te) and monopnictides (PrY: Y = P, As, Sb, Bi) with NaCl-type structure have been investigated by using an interionic potential theory with necessary modification to include the effect of Coulomb screening due to the delocalized f-electrons of rare earth ion. The calculations are done at ambient as well as at high pressure. The structure of the high pressure phase of PrX compounds is CsCl-type while all the PrY compounds have been found to undergo from their initial NaCl-type structure to high pressure body centered tetragonal (BCT) structure, which can be seen as the distorted CsCl-type with c/a ratio ≈ 0.82–0.87. The calculated transition pressures are in good agreement with the experimental results. The elastic properties like second-order elastic constants for PrX, Y compounds are calculated for the first time. The nature of the bonding is also predicted by calculating the distance between the ions with the increasing pressure. 相似文献
10.
The variation of the second-order elastic constants (SOECs) and the longitudinal and shear modulii with hydrostatic pressure
for the lead fluoride (PbF2) has been investigated for the first time by means of a three-body force potential (TBP) model. The significance of three-body
interactions (TBI) has been clearly demonstrated in reproducing the elastic constant variations and the pressure derivatives
of SOECs of PbF2. The equation of state for this crystal has also been reported. 相似文献