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ON THE USE OF THE WHOLE EIGENVALUE SPECTRUM TO OBTAIN SINGLE MOLECULE BAND STRUCTURES AND SOLID BAND GAPS FOR MOLECULAR ELECTRONICS STUDIES
(Sociedad Chilena de Química, 2006)
Novel Schiff base self-condensed oligomers in complexation with metallic triflates of low-band gap properties
(Springer-Verlag London Ltd, 2015)
BANDAS DE ENERGIA, ORIGEN Y CONSECUENCIAS
(Lat. Am. J. Phys. Educ, 2013-01-16)
On the use of the whole eigenvalue spectrum to obtain single molecule band structures and solid band gaps for molecular electronics studies
(Sociedad Chilena de Química, 2006)
A Density Functional microscopic model of C60, consisting of seven molecular orbitals (3 occupied and 4 empty), was employed to get the best values for the half-width and the scanning distance of the mathematical function ...
Microscopic theory of photonic band gaps in optical lattices
(Elsevier BVAmsterdam, 2014-02)
We propose a microscopic model to describe the scattering of light by atoms in optical lattices. The model is shown to efficiently capture Bragg scattering, spontaneous emission and photonic band gaps. A connection to the ...
Photonic band gap spectra in Octonacci metamaterial quasicrystals
(Elsevier, 2017)
CdSe/CdTe interface band gaps and band offsets calculated using spin-orbit and self-energy corrections
(ELSEVIER SCIENCE BVAMSTERDAM, 2012)
We performed ab initio calculations of the electronic structures of bulk CdSe and CdTe, and their interface band alignments on the CdSe in-plane lattice parameters. For this, we employed the LDA-1/2 self-energy correction ...