نتایج جستجو برای: energy bands structure

تعداد نتایج: 2183339  

1994
Z.-X. SHEN D. S. DESSAU Z.-X. Shen D. S. Dessau

Stimulated by the discovery of high-temperature superconductivity, the electronic structure of late 3d transition-metal oxides is presently one of the most extensively studied subjects in condensed matter physics. In this review, we hope to summarize the progress we have made and the problems we are facing. The emphasis of the review is on the latest angle-resolved photoemission studies that ha...

Journal: :Physical review letters 2005
T E Kidd T Valla A V Fedorov P D Johnson R J Cava M K Haas

We have used angle-resolved photoemission spectroscopy to determine the bulk electronic structure of Sr(2)RuO(4) above and below the Fermi liquid crossover near 25 K. Our measurements indicate that the properties of the system are highly orbital dependent. The quasi-2D gamma band displays Fermi liquid behavior while the remaining low energy bands show exotic properties consistent with quasi-1D ...

1996
H. S. Brandi Belita Koiller Eduardo R. Mucciolo

We study the electronic band structure for a model one-dimensional periodic potential in the presence of a spacially homogeneous laser eld. The statistical properties of the energy bands depend on the coupling between the crystal and the laser eld, going from Poisson to Wigner-Dyson (GOE) and back to Poisson as the coupling increases. We argue that the classical dynamics of this system resemble...

2008
Mariusz Krawiec

The structural and electronic properties of gold decorated Si(335) surface are studied by means of density-functional calculations. The resulting structural model indicates that the Au atoms substitute some of the Si atoms in the middle of the terrace in the surface layer. Calculated electronic band structure near the Fermi energy features two metallic bands, one coming from the step edge Si at...

Journal: :International journal of peptide and protein research 1984
V M Naik S Krimm J B Denton G Némethy H A Scheraga

Normal mode calculations have been carried out on three low-energy structures of gramicidin S obtained from conformational energy calculations. When the results on the amide modes are compared with observed bands in the infrared and Raman spectra of crystalline gramicidin S and its N-deuterated derivative, one of the structures is clearly disfavored. Of the other two, one is slightly favored, a...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه لرستان - دانشکده علوم پایه 1389

abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...

2008
H. C. WOLF K. W. BENZ

Excitons in ideal aromatic crystals are delocalized. So far no experimental evidence for self trapping of excitons is known. Trapping of energy is possible in mixed crystals or in crystals containing defects. Disturbed exciton states due to the presence of foreign molecules or due to structural defects (the so-called X-traps) are the most characteristic type of defects in aromatic crystals. Som...

1996
H. S. Brandi Belita Koiller

We study the electronic band structure for a model one-dimensional periodic potential in the presence of a spacially homogeneous laser field. The statistical properties of the energy bands depend on the coupling between the crystal and the laser field, going from Poisson to Wigner-Dyson (GOE) and back to Poisson as the coupling increases. We argue that the classical dynamics of this system rese...

2002
P. Limão Vieira S. Pathak A. Dawes J. Tennyson P. Tegeder K. Sunohara H. Tanaka H. Cho S. Samukawa S. V. Hoffmann D. Newnham

The electronic states of CF3I have been investigated using photon and electron energy loss spectroscopy from 4 to 20 eV (310 nm > λ > 60 nm). Assignments have been suggested for each of the observed absorption bands incorporating both valence and Rydberg transitions. Vibrational structure in each of these bands is observed for the first time. Absolute photo-absorption cross-sections have also b...

Journal: :The Journal of chemical physics 2005
David Rueda Oleg V Boyarkin Thomas R Rizzo Andrei Chirokolava David S Perry

Spectra of jet-cooled methanol in the overtone and combination region from 5000 to 14 000 cm(-1) have been obtained by means of infrared laser-assisted photofragment spectroscopy. Many of the observed features are assigned to combination bands of the type nnu(1)+nu(6), nnu(1)+nu(8), and nnu(1)+nu(6)+nu(8) (n=1,2,3), where nu(1) is the OH stretch, nu(6) is the OH bend, and nu(8) is the CO stretc...

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