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Gustavo M Dalpian

Publications and source records attributed to Gustavo M Dalpian.

4 recordsLinked to original sources

Self-purification in semiconductor nanocrystals.

Doping of nanocrystals is an important and very difficult task. "Self-purification" mechanisms are often claimed to make this task even more difficult, as the distance a defect or impurity must move to reach the surface of a nanocrystal is very small. We show that self-purification can be explained through energetic arguments and is an intrinsic property of defects in semiconductor nanocrystals. We find the formation energies of defects increases as the size of the nanocrystal decreases. We analyze the case of Mn-doped CdSe nanocrystals and compare our results to experimental findings.

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Symmetry considerations in CdSe nanocrystals.

Semiconductor nanocrystals or quantum dots show a wide range of physical properties depending on their size or shape. In this paper, we show that symmetry is also an important characteristic that can lead to different electronic and optical properties. We use pseudopotential density-functional theory, within a real space approach, and address the sensitivity of electronic and optical properties with respect to the symmetry point groups associated to CdSe nanocrystals.

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Energetic pinning of magnetic impurity levels in quantum-confined semiconductors.

Donor- and acceptor-type (D/A) impurities play central roles in controlling the physical properties of semiconductors. With continued miniaturization of information processing devices, the relationship between quantum confinement and D/A ionization energies becomes increasingly important. Here, we provide direct spectroscopic evidence that impurity D/A levels in doped semiconductor nanostructures are energetically pinned, resulting in variations in D/A binding energies with increasing quantum confinement. Using magnetic circular dichroism spectroscopy, the donor binding energies of Co2+ ions in colloidal ZnSe quantum dots have been measured as a function of quantum confinement and analyzed in conjunction with ab initio density functional theory calculations. The resulting experimental demonstration of pinned impurity levels in quantum dots has far-reaching implications for physical phenomena involving impurity-carrier interactions in doped semiconductor nanostructures, including in the emerging field of semiconductor spintronics where magnetic-dopant-carrier exchange interactions define the functionally relevant properties of diluted magnetic semiconductors.

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Hole-mediated stabilization of cubic GaN.

We propose here a new approach to stabilize the cubic zinc-blende (ZB) phase by incorporation of impurities into a compound that has a hexagonal wurtzite (WZ) ground state. For GaN, we suggest that this can be achieved by adding 3d acceptors such as Zn, Mn, or Cu because the p-d repulsion between the 3d impurity levels and the valence band maximum is larger in the ZB phase than in the WZ phase. This makes the top of the valence states of the ZB structure higher than that of the WZ structure. As holes are created at the top of the valence states by the impurities, it will cost less energy for the holes to be created in the ZB structure, thus stabilizing this phase. Our first-principles total energy calculations confirm this novel idea.

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