0000000000143135

AUTHOR

W. Pannhorst

showing 2 related works from this author

Single particle jumps and correlated ionic motions in glass-ceramics

1993

Using impedance spectroscopy, the ion transport in poorly Li-conducting aluminosilicate glass ceramics and their precursor glasses has been measured for temperatures 50 K < T < 550 K and covering a frequency range of more than 14 decades from 10 mHz up to 3 THz. In addition to the familiar cooperative ionic motion dominating at high temperatures, for the first time dielectric relaxation due to elementary hopping processes is observed well below room temperature.

chemistry.chemical_classificationAnalytical chemistryMineralogyIonic bondingCondensed Matter Physics530Electronic Optical and Magnetic MaterialsDielectric spectroscopychemistryAluminosilicatevisual_artMaterials ChemistryCeramics and Compositesvisual_art.visual_art_mediumIonic conductivityParticleDielectric lossCeramicInorganic compound
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On the interpretation of the experimental Raman spectrum of β-eucryptite LiAlSiO4 from atomistic computer modeling

2000

Abstract The vibrational spectrum of β-eucryptite LiAlSiO4 with stuffed high quartz structure – commercially relevant for zero-expansion glass ceramics – was calculated by lattice energy minimization and diagonalization of the dynamical matrix using an ab initio based ion-pair shell model potential. A full symmetry analysis of the vibrational modes was carried out. Raman activity of vibrations was calculated under parameterization of individual polarizability factors for each type of interatomic bonds in β-eucryptite LiAlSiO4. Calculated vibrational energies agree with the experimental energies within ±2.3%. Agreement of calculated spectroscopic Raman intensities with experimental intensiti…

PhononChemistryAb initioCondensed Matter PhysicsMolecular physicsHot bandElectronic Optical and Magnetic Materialssymbols.namesakeNormal modeComputational chemistryAb initio quantum chemistry methodsPolarizabilityMolecular vibrationPhysics::Atomic and Molecular ClustersMaterials ChemistryCeramics and CompositessymbolsPhysics::Chemical PhysicsRaman spectroscopyJournal of Non-Crystalline Solids
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