density of states


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density of states

[′den·səd·ē əv ′stāts]
(solid-state physics)
A function of energy E equal to the number of quantum states in the energy range between E and E + dE divided by the product of dE and the volume of the substance.
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Assuming all molecular orbitals contribute equally to the experimental density of states, we obtain a calculated density of states by applying equal Gaussian envelopes of 1 eV width to each molecular orbital (to account for the solid state broadening in photoemission) and then summing.
1, we see there is good qualitative agreement between experiment and calculated density of states.
The existence of this occupied density of states at low binding energy, because of defects, imparts p-type character to the polymer, i.
It is difficult to exclude many possible contributions to the defect-related density of states within the HOMO-LUMO gap based on the present data, although the structure shown and modeled in Fig.
Using our simple model calculations, other chemical defects on an aliphatic pendant group or the thiophene alone, such as missing hydrogen on an aliphatic pendant group or thiophene, replacement of a "carbon" atom with an "oxygen" atom on an aliphatic pendant group or thiophene, an oxygen bridging two carbon atoms on an aliphatic pendant group or thiophene, even, in the extreme case, omission of an aliphatic pendant group, will not result in major changes of backbone conformation of P3HT, and do not create density of states within HOMO-LUMO gap.
Similarly, the interplay between aliphatic pendant group and thiophene does not necessary create density of states in the HOMO-LUMO gap, despite the resulting possible distortions to the aromatic backbone.
To answer this question, scientists from the Nist Center for Neutron Research, Princeton University, the University of Maryland, and the University of Pennsylvania have carried out temperature-dependent neutron measurements of the crystal structure and phonon density of states, and have compared these results with detailed first-principles calculations of the lattice dynamics and electronic band structure for [MgB.
Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets.