منابع مشابه
Lattice Vibration of Layered GaTe Single Crystals
The effect of interlayer interaction on in-layer structure of laminar GaTe crystals was studied according to the lattice vibration using micro-Raman analysis. The results were also confirmed by the first principle calculations. Accordingly, the relationship between lattice vibration and crystal structure was established. Ten peaks were observed in the micro-Raman spectra from 100 cm−1 to 300 cm...
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The cluster representation matrices have already been successfully used to enumerate close-packed vacancy clusters in all single-lattice crystals [I, 2]. Point defect clusters in double-lattice crystals may have identical geometry but are distinct due to unique atomic postions enclosing them. The method of representation matrices is extended to make it applicable to represent and enumerate ...
متن کاملAb initio lattice dynamics of nonconducting crystals by systematic fragmentation.
A systematic method for approximating the ab initio electronic energy of crystal lattices has been improved by the incorporation of long range electrostatic and dispersion interactions. The effect of these long range interactions on the optimization of the crystal structure is reported. The harmonic lattice dynamics have been evaluated to give phonon frequencies and neutron scattering intensiti...
متن کاملStructure and lattice dynamics of dipolarly disordered 2,3-dimethylanthracene crystals
2,3-dimethylanthracene (2,3-DMA, C16H14) crystallizes in a pseudocentrosymmetric triclinic lattice with two molecules per unit cell showing dipolar structural disorder of the acentric molecules. Using powder samples the amplitude weighted phonon density of states was measured by inelastic incoherent neutron scattering for different degrees of deuteration. The differences in the resulting spectr...
متن کاملBreakdown of the lattice polaron picture in La0.7Ca0.3MnO3 single crystals
When heated through the magnetic transition at TC , La0.7Ca0.3MnO3 changes from a band metal to a polaronic insulator. The Hall constant RH , through its activated behavior and sign anomaly, provides key evidence for polaronic behavior. We use RH and the Hall mobility to demonstrate the breakdown of the polaron phase. Above 1.4TC , the polaron picture holds in detail, while below, the activatio...
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ژورنال
عنوان ژورنال: AIP Advances
سال: 2015
ISSN: 2158-3226
DOI: 10.1063/1.4928384