Overtones of H vibrations at Ni(111): Formation of delocalized states

被引:18
作者
Okuyama, H [1 ]
Ueda, T [1 ]
Aruga, T [1 ]
Nishijima, M [1 ]
机构
[1] Kyoto Univ, Grad Sch, Dept Chem, Kyoto 6068502, Japan
来源
PHYSICAL REVIEW B | 2001年 / 63卷 / 23期
关键词
D O I
10.1103/PhysRevB.63.233403
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Vibrational states of H adsorbed on Ni(111) have been investigated by means of electron-energy-loss spectroscopy. In addition to the symmetric (upsilon (s)) and asymmetric (upsilon (as)) fundamental modes, the corresponding overtone structures are clearly detected. The overtone of upsilon (as), the predominantly parallel-polarized mode, exhibits a doublet structure, which is interpreted to result from the delocalization of the excited vibrational states. It is shown that the doublet corresponds to the "bonding" and "antibonding" orbitals, analogous to the linear combination of atomic orbitals for simple molecules.
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页数:4
相关论文
共 21 条
[1]   VIBRATIONAL-SPECTRA OF ATOMIC H AND D ON CU(110) - EVIDENCE FOR H QUANTUM DELOCALIZATION [J].
ASTALDI, C ;
BIANCO, A ;
MODESTI, S ;
TOSATTI, E .
PHYSICAL REVIEW LETTERS, 1992, 68 (01) :90-93
[2]   Diffusion of hydrogen on Ni(111) over a wide range of temperature: Exploring quantum diffusion on metals [J].
Cao, GX ;
Nabighian, E ;
Zhu, XD .
PHYSICAL REVIEW LETTERS, 1997, 79 (19) :3696-3699
[3]  
CHRISTMANN K, 1979, J CHEM PHYS, V70, P4168, DOI 10.1063/1.438041
[4]   DIFFUSION OF ADSORBATES ON METAL-SURFACES [J].
GOMER, R .
REPORTS ON PROGRESS IN PHYSICS, 1990, 53 (07) :917-1002
[5]   HE-DIFFRACTION INVESTIGATIONS OF THE (2 X 2)-PHASES OF OXYGEN AND HYDROGEN ON NI(111) [J].
GROSS, G ;
RIEDER, KH .
SURFACE SCIENCE, 1991, 241 (1-2) :33-38
[6]  
Herzberg G., 1945, Molecular Spectra and Molecular Structure: Infrared and Raman of Polyatomic Molecules
[7]   ANGLE-RESOLVED AND VARIABLE IMPACT ENERGY ELECTRON VIBRATIONAL-EXCITATION SPECTROSCOPY OF MOLECULES ADSORBED ON SURFACES [J].
HO, W ;
DINARDO, NJ ;
PLUMMER, EW .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1980, 17 (01) :134-140
[8]   ELECTRON-ENERGY-LOSS SPECTROSCOPY WITH RESOLUTION BELOW 1 MEV [J].
IBACH, H .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1993, 64-5 :819-823
[9]  
Ibach H., 1982, ELECT ENERGY LOSS SP
[10]   First-principles study of the adsorption of atomic H on Ni(111), (100) and (110) [J].
Kresse, G ;
Hafner, J .
SURFACE SCIENCE, 2000, 459 (03) :287-302