Theory of vibrational, rotational, and phonon inelastic collisions of a triatomic molecule by a crystal surface. I. A quantum-mechanical treatment of the scattering dynamics

Journal Article · Sat Sep 01 04:00:00 EDT 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.42.3887· OSTI ID:6480446

Choi, B H; Guevenc, Z B; Liu, N L ^[1]

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1. Department of Physics, University of California, Riverside, Riverside, CA (USA)

Based on time-independent scattering theory, we present a systematic formulation of triatomic-molecule--crystalline-surface scattering dynamics including the vibrational states of the solid (phonons) and the vibrational and rotational states of the molecular projectile. The vibrational and rotational motions of the triatomic molecule are treated by separating out the motion of the center of mass of the molecule in a manner that is suitable for treating the surface collisions with a molecular projectile. This method can be essentially applied to a general polyatomic projectile case. From the translational invariance of the full Hamiltonian, we employ the total (projectile+phonon) momentum representation parallel to the surface to derive the properties of the total scattering wave function of the triatomic-molecule--crystalline-surface system, a representation of the simultaneous phonon and vibrational-rotational transition potential matrix, and the characteristics of the independent physical solutions for a given energy and momentum of the system.

• OSTI ID: 6480446
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 42:7; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

656003* -- Condensed Matter Physics-- Interactions between Beams & Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COLLISIONS
CRYSTALS
ENERGY LEVELS
EXCITED STATES
FUNCTIONS
GREEN FUNCTION
HAMILTONIANS
INELASTIC SCATTERING
INVARIANCE PRINCIPLES
MATHEMATICAL OPERATORS
MOLECULE COLLISIONS
PHONONS
QUANTUM OPERATORS
QUASI PARTICLES
ROTATIONAL STATES
SCATTERING
VIBRATIONAL STATES
WAVE FUNCTIONS