- TDDFT.org
... with the solution of the Bethe-Salpeter equation (BSE), is to date the most reliable and versatile approach to calculate optical response functions. Such ab initio calculations of optical spectra have been performed on a very high level of accuracy for many materials, and it is acknowledged that an ...
... with the solution of the Bethe-Salpeter equation (BSE), is to date the most reliable and versatile approach to calculate optical response functions. Such ab initio calculations of optical spectra have been performed on a very high level of accuracy for many materials, and it is acknowledged that an ...
Absorption Techniques in X
... and thus XANES was called the Kossel structure. The Kossel theory was called short-range order (SRO) theory, because the electronic structures of unoccupied levels are mostly determined by orbital hybridization between the center atom and the nearest-neighbor atoms. On the other hand, Kronig.34/ exp ...
... and thus XANES was called the Kossel structure. The Kossel theory was called short-range order (SRO) theory, because the electronic structures of unoccupied levels are mostly determined by orbital hybridization between the center atom and the nearest-neighbor atoms. On the other hand, Kronig.34/ exp ...
Crystallographic defects in diamond
Imperfections in the crystal lattice of diamond are common. Such crystallographic defects in diamond may be the result of lattice irregularities or extrinsic substitutional or interstitial impurities, introduced during or after the diamond growth. They affect the material properties of diamond and determine to which type a diamond is assigned; the most dramatic effects are on the diamond color and electrical conductivity, as explained by the band theory.The defects can be detected by different types of spectroscopy, including electron paramagnetic resonance (EPR), luminescence induced by light (photoluminescence, PL) or electron beam (cathodoluminescence, CL), and absorption of light in the infrared (IR), visible and UV parts of the spectrum. Absorption spectrum is used not only to identify the defects, but also to estimate their concentration; it can also distinguish natural from synthetic or enhanced diamonds.