Neto: Lattice Dynamics of Molecular Crystals , (Springer Verlag Berlin, Heidelberg, New York 1981).S. Califano, V. Schettino, N. Neto, Lattice Dynamics of Mole- cular Crystals, Springer, Berlin, 1981.Califano, S, Schettino, V. and Neto, N (1981) Lattice Dynamics of Moelcular Crystals ,...
We propose a lattice dynamical model of halogen crystals based on central force pair interactions between atoms. The force constants are derived by fitting the model to observed Raman and infrared frequencies at the zone centre. The phonon dispersion relations are then calculated along the symmetry ...
Molecular dynamics (MD) simulations have been used to calculate the structures and bulk moduli of crystals in the system CaO-MgO-Al2O3 Masanori,Matsui - 《Physics & Chemistry of Minerals》 被引量: 116发表: 1996年 Roper resonance in 2 + 1 flavor QCD The low-lying even-parity states of ...
An underestimation of nearly 2 cal mol 1 K 1 in the values which are currently reported for the entropy of the vapour at room temperature is also inferred. 展开 关键词: Theoretical or Mathematical/ entropy lattice dynamics of molecular crystals molecular force constants sulphur/ nonrigid molecular...
Exciton dynamics in organic molecular crystals and nanostructures The theory on the coherent electron-exciton pairing in molecular crystals is generalized to include the effect of the electron spin. It is shown that in th... C Bardeen - 《Bulletin of the American Physical Society》 被引量: 0发...
The effect of isotopic substitution on vibron relaxation in molecular crystals has been investigated using molecular dynamics simulation. Calculations were... G Cardini,V Schettino - 《Chemical Physics Letters》 被引量: 29发表: 1992年 Methods of calculating isotopic fractionation in minerals Similarities...
The lattice dynamics of crystalline tellurium has been studied using a valence force field in an attempt to describe the forces acting within the helical chains ; a central force field which extends to second nearest neighbours has been used for the inter-chain potential. From the experimental ...
The symmetry of a single molecule, the structure of a molecular crystal, electronic properties, characteristics of lattice dynamics, and the consequent existence of the various phases of crystalline Care considered. A brief review is given of the structure of fullerides with metallic conduction. 85 ...
Crystal Dynamics and Lattice Waves Bekir Sami Yilbas, ... Haider Ali, in Heat Transport in Micro- and Nanoscale Thin Films, 2018 2.1 Introduction Solids may be classified into two types based on their structure: crystalline and amorphous. Metals and dielectric materials have a crystalline structu...
The soft, dynamic lattice of inorganic lead halide perovskite CsPbX3 (X = Cl-, Br-, I-) leads to the emergence of many interesting photophysical and optoelectronic phenomena. However, probing their lattice dynamics with vibrational spectroscopy remains challenging. The influence of the fundamental ...