Sulfur Adsorption and Reaction with a TiO2(110) Surface: O↔S Exchange and Sulfide Formation

2001 ◽  
Vol 66 (8) ◽  
pp. 1149-1163 ◽  
Author(s):  
Jan Hrbek ◽  
Jose A. Rodriguez ◽  
Joseph Dvorak ◽  
Tomas Jirsak
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Surface Reaction ◽  
Energy Shift ◽  
Complete Loss ◽  
Oxide Surface ◽  
Large Binding Energy ◽  
Photoemission Data ◽  
Binding Energy Shift ◽  
Sulfur Adsorption

Upon sulfur adsorption on TiO2(110) at 600 K, all surface oxygen is replaced by sulfur. High-resolution photoemission data show a complete loss of oxygen from the surface layer, a large binding energy shift and attenuation of Ti core levels, and the presence of three different S species. The bonding of sulfur is examined using first-principles density-functional calculations and the periodic supercell approach. At saturation the top layer of the oxide surface is converted to sulfide, with the majority of sulfur buckled above the Ti lattice plane and the remaining sulfur bonded in bridging sites. A mechanism for this self-limiting thermodynamically unlikely surface reaction is proposed.

Structure of the ground and excited states in the Co2FeSi Heusler alloy according to the resonant photoemission data

2015 ◽  
Vol 56 (3) ◽  
pp. 511-516 ◽  
Author(s):  
V. I. Grebennikov ◽  
A. Buling ◽  
M. Neumann ◽  
V. V. Marchenkov ◽  
T. V. Kuznetsova
Keyword(s):  
Excited States ◽  
Heusler Alloy ◽  
Resonant Photoemission ◽  
Photoemission Data

Theory of the Normal State of Cuprate Superconductors

1989 ◽  
Vol 169 ◽  
Author(s):  
Philip W. Anderson ◽  
Yong Ren
Keyword(s):  
Fermi Surface ◽  
Normal State ◽  
Cuprate Superconductors ◽  
Metallic State ◽  
Zero Energy ◽  
Temperature Dependent ◽  
Spin Excitations ◽  
Photoemission Data ◽  
The One ◽  
Do So

AbstractWe propose a framework for the theory of the "normal" metallic state of the CuO2 planes of high Tc superconductors. This state is closely analogous to the known state of the one-dimensional Hubbard model, with spin excitations which can be thought of as chargeless (Z = 0) Fermions occupying the interior of the conventional Fermi surface, and charged excitations which have zero energy near the spanning vectors 2kF of that Fermi surface. The electron spectrum is the composite spectrum of two of these excitations, and can be fitted to angle-resolved photoemission data. When we do so we can calculate or estimate many properties of the normal state in excellent agreement with experiment, and show that the pair susceptibility is anomalously large and temperature-dependent, explaining the high Tc and the specific heat behavior.

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