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Estudo de primeiros princípios da estabilidade e funcionalização da superfície e nanofitas de carbeto de silício
(Universidade Federal de Santa Maria, 2014-10-24)
We use first principles calculations based upon the density functional theory to
investigate the stability, geometry, electronic and magnetic properties of cibic silicon
carbide (SiC) surfaces aligned along the (001) ...
Cálculos de primeiros princípios em isolantes topológicos: HgTe/CdTe
(Universidade Federal de Santa Maria, 2014-12-15)
The observation of the quantum spin Hall effect in the HgTe/CdTe heterostructure triggered
the study of materials exhibiting a spin polarized electronic current at their surfaces/
interfaces. These states are topologically ...
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 ...