𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Dynamics of anharmonic surfaces in harmonic crystals

✍ Scribed by P. Zieliński; Z. Łodziana; T. Srokowski


Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
469 KB
Volume
59
Category
Article
ISSN
0079-6816

No coin nor oath required. For personal study only.

✦ Synopsis


Explicit expressions are given for the effective equations of motion for surface atoms placed in a general anharmonic potential and attached to semi-infinite harmonic bulk substrates. Three types of one-dimensional substrates are considered: i) continuous dispersionless, ii) discrete with nearest neighbours harmonic interactions, and iii) a substrate showing a strong spatial dispersion due to next-nearest neighbours interactions. The elimination of the harmonic degrees of freedom of the dispersionless substrate i) reduces the problem to the damped Duffing oscillator in the case of an external force applied to the surface atom, and to an extended Duffing oscillator with time-dependent coefficients in the case of scattering of a phonon incoming from the bulk. In both remaining cases [ii) and iii)] the resulting equations of motion are Volterra integrodifferential equations. The equations of motion obtained allow for the study of transitive regimes, of higher harmonics generation and of chaotic behaviour, due to the surface anharmonicity.


📜 SIMILAR VOLUMES


Reaction dynamics on surfaces in the har
✍ K. Sumithra; K.L. Sebastian 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 266 KB

We suggest a method for calculating the rates of reactions involving adsorbates on the surfaces of a semi-infinite solid. The method makes use of multidimensional quantum transition-state theory to obtain an expression for the rate. Using the harmonic approximation, one can take into account all vib

Investigation of the vibration spectrum
✍ A. Audzijonis; L. Žigas; I.V. Vinokurova; O.V. Farberovič; R. Žaltauskas; E. Čij 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 184 KB

The force constants of SbSI crystal have been calculated by the pseudo-potential method. The frequencies and normal coordinates of SbSI vibration modes along the c(z) direction have been determined in harmonic approximation. The potential energies of SbSI normal modes dependence on normal coordinate