Subband structure of II-VI modulation-doped magnetic quantum wells

Here we investigate the spin-dependent subband structure of newly-developed Mn-based modulation-doped quantum wells. In the presence of an external magnetic field, the s-d exchange coupling between carriers and localized d electrons of the Mn impurities gives rise to large spin splittings resulting in a magnetic-field dependent subband structure. Within the framework of the effective-mass approximation, we self-consistently calculate the subband structure at zero temperature using Density Functional Theory (DFT) with a Local Spin Density Approximation (LSDA). We present results for the magnetic-field dependence of the subband structure of shallow ZnSe/ZnCdMnSe modulation doped quantum wells. Our results show a significant contribution to the self-consistent potential due to the exchange-correlation term. These calculations are the first step in the study of a variety of interesting spin-dependent phenomena, e.g., spin-resolved transport and many-body effects in polarized two-dimensional electron gases.Comment: 3 pages, 3 postscript figures, submitted to the proceedings of the 10th Brazilian Workshop on Semiconductor Physics (BWSP10

Many-body effects on the ρxx\rho_{xx} ringlike structures in two-subband wells

The longitudinal resistivity $\rho_{xx}$ of two-dimensional electron gases formed in wells with two subbands displays ringlike structures when plotted in a density--magnetic-field diagram, due to the crossings of spin-split Landau levels (LLs) from distinct subbands. Using spin density functional theory and linear response, we investigate the shape and spin polarization of these structures as a function of temperature and magnetic-field tilt angle. We find that (i) some of the rings "break" at sufficiently low temperatures due to a quantum Hall ferromagnetic phase transition, thus exhibiting a high degree of spin polarization ($\sim 50$%) within, consistent with the NMR data of Zhang \textit{et al.} [Phys. Rev. Lett. {\bf 98}, 246802 (2007)], and (ii) for increasing tilting angles the interplay between the anticrossings due to inter-LL couplings and the exchange-correlation (XC) effects leads to a collapse of the rings at some critical angle $\theta_c$, in agreement with the data of Guo \textit{et al.} [Phys. Rev. B {\bf 78}, 233305 (2008)].Comment: 4 pages, 3 figure

Hysteretic resistance spikes in quantum Hall ferromagnets without domains

We use spin-density-functional theory to study recently reported hysteretic magnetoresistance \rho_{xx} spikes in Mn-based 2D electron gases [Jaroszy\'{n}ski et al. Phys. Rev. Lett. (2002)]. We find hysteresis loops in our calculated Landau fan diagrams and total energies signaling quantum-Hall-ferromagnet phase transitions. Spin-dependent exchange-correlation effects are crucial to stabilize the relevant magnetic phases arising from distinct symmetry-broken excited- and ground-state solutions of the Kohn-Sham equations. Besides hysteretic spikes in \rho_{xx}, we predict hysteretic dips in the Hall resistance \rho_{xy}. Our theory, without domain walls, satisfactorily explains the recent data.Comment: 4 pages, 4 figures, published version (some changes to the text; same figures as in v1

Simple implementation of complex functionals: scaled selfconsistency

We explore and compare three approximate schemes allowing simple implementation of complex density functionals by making use of selfconsistent implementation of simpler functionals: (i) post-LDA evaluation of complex functionals at the LDA densities (or those of other simple functionals); (ii) application of a global scaling factor to the potential of the simple functional; and (iii) application of a local scaling factor to that potential. Option (i) is a common choice in density-functional calculations. Option (ii) was recently proposed by Cafiero and Gonzalez. We here put their proposal on a more rigorous basis, by deriving it, and explaining why it works, directly from the theorems of density-functional theory. Option (iii) is proposed here for the first time. We provide detailed comparisons of the three approaches among each other and with fully selfconsistent implementations for Hartree, local-density, generalized-gradient, self-interaction corrected, and meta-generalized-gradient approximations, for atoms, ions, quantum wells and model Hamiltonians. Scaled approaches turn out to be, on average, better than post-approaches, and unlike these also provide corrections to eigenvalues and orbitals. Scaled selfconsistency thus opens the possibility of efficient and reliable implementation of density functionals of hitherto unprecedented complexity.Comment: 12 pages, 1 figur

Investigation of Association between Susceptibility to Leprosy and SNPs inside and near the BCHE Gene of Butyrylcholinesterase

Leprosy is a chronic disease caused by Mycobacterium leprae and affects the skin and the peripheral nervous system. Butyrylcholinesterase is coded by the BCHE gene, and the atypical allele (70G; rs1799807) has been investigated as a leprosy risk factor, with conflicting results. The present study estimated the frequencies of variants of rs1799807 and of five additional SNPs at the BCHE gene or near it: rs1126680, rs1803274, rs2863381, rs4440084, and rs4387996. A total of 167 patients and 150 healthy controls were genotyped by TaqMan PCR. Significantly higher allelic (70G) and genotypic (70DG) frequencies in rs1799807 were found in the patient group, with odds ratio (OR) of 6.33 (1.40 to 28.53) for the heterozygote. This finding was replicated in a comparison of the cases against a control group of 361 blood donors. The present data suggest that the atypical BChE variant may predispose to leprosy per se