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Estudo de impureza de európio em PbSe e PbTe. Uma investigação de primeiros princípios
(Universidade Federal de Santa Maria, 2014-01-30)
In this work properties were studied the structural, electronic and magnetic semiconductors
PbSe and PbTe doped with europium (Eu) in the crystalline phase. The
investigation is performed within the density functional ...
Estudo teórico de antissítios e impureza substitucional de oxigênio em nanofio de SiC
(Universidade Federal de Santa Maria, 2010-09-23)
In this work first we perform a study about the stability, and the electronic properties of SiC growth in the [111] direction when defects are present. We use the supercell method and the dangling bonds on the surface of ...
Oxidação de nanofios de InP: um estudo de primeiros princípios
(Universidade Federal de Santa Maria, 2012-12-17)
A study of InP nanowires with an oxide layer, as well as the initial steps of the oxidation process is pursued through first principles calculations and molecular dynamics simulations within the Density Functional Theory. ...
Estudo teórico da interação de flúor em nanoestruturas de BC2N
(Universidade Federal de Santa Maria, 2011-09-09)
In this work we perform a theoretical study about fluorine adsorption in BC2N
nanostructures. The fluorine interaction with the BC2N nanostructures was studied
using only atomic fluorine on two nanotubos with different ...