Optical Absorption in B13 Cluster: A Time-dependent Density Functional Approach

19 Feb 2013 | Publications | 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 …

https://nanohub.org/resources/16903

Optical absorption in boron clusters B6 and B6+ : A first principles configuration interaction approach

07 Sep 2012 | Publications | 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 …

https://nanohub.org/resources/15160

Large-scale first principles configuration interaction calculations of optical absorption in boron clusters

07 Mar 2012 | Publications | Contributor(s): Ravindra L Shinde

We have performed systematic large-scale all-electron correlated calculations on boron clusters Bn (n=2–5), to study their linear optical absorption spectra. Several possible isomers of each clus- …

https://nanohub.org/resources/13404

Comparison of strain relaxation in epitaxial Si0.3Ge0.7 films grown on Si(001) and Ge(001)

07 Oct 2011 | Publications | Contributor(s): Brian Demczyk

Surface and interfacial strain have been computed for SiGe thin films grown by UHVCVD,based on measurements via transmission electron microscopy and Raman spectroscopy.

https://nanohub.org/resources/12252

Functional Graded Materials architectures applied at nanoscale: thin PVD nanograded and layered coatings

09 Oct 2008 | Publications | 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. …

https://nanohub.org/resources/5585