Ab initiovalence-bond cluster model for ionic solids: Alkaline-earth oxides
نویسندگان
چکیده
منابع مشابه
Thermal Properties of Alkaline Earth Oxides
The heat capacities of MgO, CaO, SrO and BaO, reported in part I have been analysed in terms of the frequency spectrum of the lattice with the assumption that the effect of anharmonicity of the lattice may be neglected for T (@D / 3 ) . Following the usual procedure the n-th moments of the frequency spectrum with n = — 3, —2, — 1, 0, 1 to 6 were calculated from the experimental data. From the l...
متن کاملAN NMR STUDY OF IONIC SOLVATION OF ALKALINE EARTH CATIONS WITH DIMETHYLSULFOXIDE IN NITROMETHANE SOLUTION
A proton NMR method for the determination of the solvation numbers of alkaline earth cations with dimethylsulfoxide (DMSO) in nitromethane as diluent is described. The method is based on the monitoring of the resonance frequency of DMSO protons as a function of DMSO to metal ion mole ratio while keeping the metal ion concentration constant. The average solvation number of cations at any...
متن کاملElectronic spectroscopy of the alkaline-earth halide cluster Ca2Cl3
A visible spectrum of the cluster Ca2Cl3 was observed from 651 to 630 nm by 1118 resonant multiphoton ionization spectroscopy. Spectra were obtained for each of the four isotopomers: Ca2 Cl3, Ca2 Cl2 Cl, Ca2 Cl Cl2, and Ca2 Cl3. The spectra were composed of a strong origin band at 15 350.8 cm and several very weak vibronic bands. All of the bands were sharp with partially resolved rotational ba...
متن کاملSimple model for ac ionic conduction in solids.
We present a model for the ac conduction in ionically conducting solids that takes into account, in a simple way, the interaction between carriers. The Coulomb force forms an "ionic atmosphere" that exerts a restoring force on a central ion, whose motion corresponds to an overdamped oscillator. We consider the effect of the relaxation of the ionic atmosphere by introducing an additional equatio...
متن کاملBond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals
Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that ori...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 1993
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.47.6207