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When optical components are reduced to the nanoscale, they exhibit interesting properties that can be harnessed to create new devices. For example, imagine a block of material with thin layers of alternating materials. This creates a periodic arrangement of alternating dielectric constants, forming a "photonic crystal" that is analogous to the electronic crystals used in semiconductor devices. Photonic crystals, along with quantum dots and other devices patterned at the nanoscale, may form the basis for sensors and switches used in computers and telecommunications. More information on Nanophotonics can be found here.
Optical Absorption in B13 Cluster: A Time-dependent Density Functional Approach
19 Feb 2013 | | Contributor(s):: Ravindra L Shinde, Meenakshi Tayade
The linear optical absorption spectra of three isomers of planar boron cluster B13 are calculated using time dependent spin-polarized density functional approach. The geometries of these cluster are optimized at the B3LYP/6-311+G* level of theory. Even though the isomers are almost degenerate,...
Optical absorption in boron clusters B6 and B6+ : A first principles configuration interaction approach
07 Sep 2012 | | Contributor(s):: Ravindra L Shinde
The linear optical absorption spectra in neutral boron cluster B6 and cationic B6+ are calculated using a first principles correlated electron approach. The geometries of several low-lying isomers of these clusters were optimized at the coupled-cluster singles doubles (CCSD) level of theory. With...
Large-scale first principles configuration interaction calculations of optical absorption in boron clusters
07 Mar 2012 | | Contributor(s):: Ravindra L Shinde
We have performed systematic large-scale all-electron correlated calculations on boron clustersBn (n=2–5), to study their linear optical absorption spectra. Several possible isomers of each clus-ter were considered, and their geometries were optimized at the coupled-cluster singles doubles(CCSD)...
Comparison of strain relaxation in epitaxial Si0.3Ge0.7 films grown on Si(001) and Ge(001)
07 Oct 2011 | | Contributor(s):: Brian Demczyk, R. Naik, G. Auner, C. Kota, U. Rao
Surface and interfacial strain have been computed for SiGe thin films grown by UHVCVD,based on measurements via transmission electron microscopy and Raman spectroscopy.
Functional Graded Materials architectures applied at nanoscale: thin PVD nanograded and layered coatings
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09 Oct 2008 | | Contributor(s):: Vasco Teixeira
Functionally graded materials (FGM’s) are designed to achieve levels of performance superior to that of homogeneous materials by combining the desirable properties of each constituent phase. FGM’s are composite materials where the composition or the microstructure is locally varied so that a...