Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100)

Journal of Chemical Physics

Volumn 129, Issue 17, 2008, Pages

  Sakong, Sung ^a   Kratzer, Peter ^a   Han, Xu ^a   Laß, Kristian ^a   Weingart, Oliver ^a   Hasselbrink, Eckart ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; ADSORPTION; DENSITY FUNCTIONAL THEORY; EXPERIMENTS; FORMING; LANTHANUM; LATTICE VIBRATIONS; PERTURBATION TECHNIQUES; PHONONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RELAXATION PROCESSES; SEMICONDUCTING SILICON COMPOUNDS; SILICON; STRETCHING; SUBSTRATES; SURFACE STRUCTURE; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

ADSORBATE VIBRATIONS; ADSORBED CO; ANHARMONIC COUPLINGS; B3LYP FUNCTIONAL; CO STRETCHING; CO STRETCHING FREQUENCIES; CO VIBRATIONS; DECAY CHANNELS; EXPERIMENTAL VALUES; FERMI'S GOLDEN RULES; FIRST ORDERS; FORCE FIELDS; FUNCTIONAL THEORIES; HARMONIC FREQUENCIES; INSULATOR SURFACES; LIFE-TIMES; LOCAL MODES; LONG LIFETIMES; MULTI-DIMENSIONAL; NORMAL MODES; NUMERICAL VALUES; PERTURBATION THEORIES; QUALITATIVE AGREEMENTS; RELAXATION MECHANISMS; SEMI-CONDUCTORS; SI ATOMS; SI SURFACES; SI(100); STABLE ADSORPTIONS; STRETCHING FREQUENCIES; STRETCHING VIBRATIONS; TRANSITION RATES; VIBRATIONAL ENERGIES; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES; VIBRATIONAL RELAXATIONS;

CARBON MONOXIDE;

EID: 55849094690     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2993254     Document Type: Article

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