94 research outputs found
First principles calculation of polarization induced interfacial charges in GaN/AlN heterostructures
We propose a new method to calculate polarization induced interfacial charges
in semiconductor heterostructures using classical electrostatics applied to
real-space band diagrams from first principles calculations and apply it to
GaN/AlN heterostructures with ultrathin AlN layers (4-6 monolayers). We show
that the calculated electric fields and interfacial charges are independent of
the exchange-correlation functionals used (local-density approximation and
hybrid functionals). We also find the calculated interfacial charge of (6.8 +/-
0.4) x 10^13 cm-2 to be in excellent agreement with experiments and the value
of 6.58 x 10^13 cm-2 calculated from bulk polarization constants, validating
the use of bulk constants even for very thin films.Comment: 3 pages, 2 figures; submitted to Applied Physics Letter
Elastic effects on relaxation volume tensor calculations
Relaxation volume tensors quantify the effect of stress on diffusion of
crystal defects. Continuum linear elasticity predicts that calculations of
these parameters using periodic boundary conditions do not suffer from
systematic deviations due to elastic image effects and should be independent of
supercell size or symmetry. In practice, however, calculations of formation
volume tensors of the interstitial in Stillinger-Weber silicon
demonstrate that changes in bonding at the defect affect the elastic moduli and
result in system-size dependent relaxation volumes. These vary with the inverse
of the system size. Knowing the rate of convergence permits accurate estimates
of these quantities from modestly sized calculations. Furthermore, within the
continuum linear elasticity assumptions the average stress can be used to
estimate the relaxation volume tensor from constant volume calculations.Comment: 31 pages, 6 figures, submitted to Phys. Rev.
Significant association of a M129V independent polymorphism in the 5\prime UTR of the PRNP gene with sporadic Creutzfeldt-Jakob disease in a large German case-control study
Background: A single nucleotide polymorphism (SNP) in the coding region of the prion protein gene (PRNP) at codon 129 has been repeatedly shown to be an associated factor to sporadic Creutzfeldt-Jakob disease (sCJD), but additional major predisposing DNA variants for sCJD are still unknown. Several previous studies focused on the characterisation of polymorphisms in PRNP and the prion-like doppel gene (PRND), generating contradictory results on relatively small sample sets. Thus, extensive studies are required for validation of the polymorphisms in PRNP and PRND.Methods: We evaluated a set of nine SNPs of PRNP and one SNP of PRND in 593 German sCJD patients and 748 German healthy controls. Genotyping was performed using MALDI-TOF mass spectrometry.Results: In addition to PRNP 129, we detected a significant association between sCJD and allele frequencies of six further PRNP SNPs. No significant association of PRND T174M with sCJD was shown. We observed strong linkage disequilibrium within eight adjacent PRNP SNPs, including PRNP 129. However, the association of sCJD with PRNP 1368 and PRNP 34296 appeared to be independent on the genotype of PRNP 129. We additionally identified the most common haplotypes of PRNP to be over-represented or under-represented in our cohort of patients with sCJD.Conclusion: Our study evaluated previous findings of the association of SNPs in the PRNP and PRND genes in the largest cohorts for association study in sCJD to date, and extends previous findings by defining for the first time the haplotypes associated with sCJD in a large population of the German CJD surveillance study
Self-trapping in B-doped amorphous Si: Intrinsic origin of low acceptor efficiency
We have used ab initio simulations to study the doping efficiency of amorphous semiconductors, in particular of B-doped amorphous Si. We have found that even in the optimum case of substitutional doping in dangling-bond free amorphous Si the holes provided by B atoms do not behave as free carriers. Instead, they are trapped into regions with locally distorted bond angles. Thus, the effective activation energy for hole conduction turns to be the hole binding energy to these traps. In the case of high B concentration, the trap states move deeper in the gap and the binding energy and spatial localization of holes increase. In addition, B atoms have lower energies for shorter bond lengths, configurations favored in the vicinity of these traps
High prevalence of scrapie in a dairy goat herd: tissue distribution of disease-associated PrP and effect of PRNP genotype and age
Following a severe outbreak of clinical scrapie in 2006–2007, a
large dairy goat herd was culled
and 200 animals were selected for post-mortem examinations in order to
ascertain the prevalence of infection,
the effect of age, breed and PRNP genotype on the susceptibility to scrapie,
the tissue distribution of diseaseassociated
PrP (PrP), and the comparative efficiency of different diagnostic methods.
As determined by immunohistochemical (IHC) examinations with Bar224 PrP antibody, the
prevalence of preclinical infection
was very high (72/200; 36.0%), with most infected animals being positive
for PrP in lymphoreticular system
(LRS) tissues (68/72; 94.4%) compared to those that were positive in
brain samples (38/72; 52.8%). The
retropharyngeal lymph node and the palatine tonsil showed the highest
frequency of PrP accumulation (87.3%
and 84.5%, respectively), while the recto-anal mucosa-associated lymphoid
tissue (RAMALT) was positive in
only 30 (41.7%) of the infected goats. However, the efficiency of rectal
and palatine tonsil biopsies taken
shortly before necropsy was similar. The probability of brain and RAMALT
being positive directly
correlated with the spread of PrP within the LRS. The prevalence of
infection was influenced by PRNP
genetics at codon 142 and by the age of the goats: methionine carriers older
than 60 months showed a much
lower prevalence of infection (12/78; 15.4%) than those younger than 60 months (20/42; 47.6%); these last
showed prevalence values similar to isoleucine homozygotes of any age
(40/80; 50.0%). Two of seven goats
with definite signs of scrapie were negative for PrP in brain but positive
in LRS tissues, and one goat showed
biochemical and IHC features of PrP different from all other infected
goats. The results of this study have
implications for surveillance and control policies for scrapie in goats
Threeâ dimensional imaging of shear bands in bulk metallic glass composites
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/134811/1/jmi12443_am.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/134811/2/jmi12443.pd
Decoherence of electron spin qubits in Si-based quantum computers
Direct phonon spin-lattice relaxation of an electron qubit bound by a donor
impurity or quantum dot in SiGe heterostructures is investigated. The aim is to
evaluate the importance of decoherence from this mechanism in several important
solid-state quantum computer designs operating at low temperatures. We
calculate the relaxation rate as a function of [100] uniaxial strain,
temperature, magnetic field, and silicon/germanium content for Si:P bound
electrons. The quantum dot potential is much smoother, leading to smaller
splittings of the valley degeneracies. We have estimated these splittings in
order to obtain upper bounds for the relaxation rate. In general, we find that
the relaxation rate is strongly decreased by uniaxial compressive strain in a
SiGe-Si-SiGe quantum well, making this strain an important positive design
feature. Ge in high concentrations (particularly over 85%) increases the rate,
making Si-rich materials preferable. We conclude that SiGe bound electron
qubits must meet certain conditions to minimize decoherence but that
spin-phonon relaxation does not rule out the solid-state implementation of
error-tolerant quantum computing.Comment: 8 figures. To appear in PRB-July 2002. Revisions include: some
references added/corrected, several typos fixed, a few things clarified.
Nothing dramati
- …