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Electronic structure
Items for "Electronic structure"
Structural variations in Gd5Si4-xSnx: size vs. electronic effects
X-ray single crystal diffraction studies on the Gd5Si4xSnx series with 0 ≤ x ≤ 3 revealed an increase in the interslab T—T (T = Si, Sn) dimer distances and transition from Gd5Si4-type structures for 0 ≤ x ≤ 1.5 (dT—T = 2.49–2.71 Å) to the Pu5Rh4-type structure for x = 2 (dT—T = 3.04 Å)...
Keywords: Size effects, Electronic effects, Magnetocaloric compounds, Electronic structure, Single crystal structure analysis
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagA Comparative Study on the Electronic Structure of the 1-Ethyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)amide RT-Ionic Liquid by Electron Spectroscopy and First Principles Calculations
The near-surface electronic structure of the room-temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide has been investigated with ultraviolet and X-ray photoelectron spectroscopy as well as metastable induced electron spectroscopy...
Keywords: RT-Ionic Liquid, Electronic structure, Density Functional Calculations, Photoelectron Spectroscopy (UPS, XPS), Metastable Induced Electron Spectroscopy (MIES)
10/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg WissenschaftsverlagA First-Principles Investigation of the Electronic Structure of Trivalent Rare Earth Ions in Gallium Nitride
Using first-principles electronic structure methods, we have investigated the electronic structure and associated properties of Pr3+, Nd3+, Eu3+, Tb3+, Dy3+ and Er3+ substituting for Ga3+ in GaN...
Keywords: Electronic structure, luminescence, Rare Earth Ions, Gallium Nitride
11/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag