Spin separation in digital ferromagnetic heterostructures

In a study of the ferromagnetic phase of a multilayer digital ferromagnetic semiconductor in the mean-field and effective-mass approximations, we find the exchange interaction to have the dominant energy scale of the problem, effectively controlling the spatial distribution of the carrier spins in the digital ferromagnetic heterostructures. In the ferromagnetic phase, the majority and minority carriers tend to be in different regions of the space (spin separation). Hence, the charge distribution of carriers also changes noticeably from the ferromagnetic to the paramagnetic phase. An example of a design to exploit these phenomena is given.Comment: 4 pages, 3 figures. Submitted to Phys. Rev.

Heats of formation of perchloric acid, HClO4_4, and perchloric anhydride, Cl2_2O7_7. Probing the limits of W1 and W2 theory

The heats of formation of HClO$_4$ and Cl$_2$O$_7$ have been determined to chemical accuracy for the first time by means of W1 and W2 theory. These molecules exhibit particularly severe degrees of inner polarization, and as such obtaining a basis-set limit SCF component to the total atomization energy becomes a challenge. (Adding high-exponent $d$ functions to a standard $spd$ basis set has an effect on the order of 100 kcal/mol for Cl$_2$O$_7$.) Wilson's aug-cc-pV(n+d)Z basis sets represent a dramatic improvement over the standard aug-cc-pVnZ basis sets, while the aug-cc-pVnZ+2d1f sequence converges still more rapidly. Jensen's polarization consistent basis sets still require additional high-exponent $d$ functions: for smooth convergence we suggest the \{aug-pc1+3d,aug-pc2+2d,aug-pc3+d,aug-pc4\} sequence. The role of the tight $d$ functions is shown to be an improved description of the Cl (3d) Rydberg orbital, enhancing its ability to receive back-bonding from the oxygen lone pairs. In problematic cases like this (or indeed in general), a single SCF/aug-cc-pV6Z+2d1f calculation may be preferable over empirically motivated extrapolations. Our best estimate heats of formation are $\Delta H^\circ_{f,298}[$HClO$_4$(g)$]=-0.6\pm$1 kcal/mol and $\Delta H^\circ_{f,298}[$Cl$_2$O$_7$(g)$]=65.9\pm$2 kcal/mol, the largest source of uncertainty being our inability to account for post-CCSD(T) correlation effects. While G2 and G3 theory have fairly large errors, G3X theory reproduces both values to within 2 kcal/mol.Comment: J. Mol. Struct. (THEOCHEM), in press (WATOC'05 special issue

Post-mortem culture of Balamuthia mandrillaris from the brain and cerebrospinal fluid of a case of granulomatous amoebic meningoencephalitis, using human brain microvascular endothelial cells

The first isolation in the UK of Balamuthia mandrillaris amoebae from a fatal case of granulomatous amoebic meningoencephalitis is reported. Using primary cultures of human brain microvascular endothelial cells (HBMECs), amoebae were isolated from the brain and cerebrospinal fluid (CSF). The cultures showed a cytopathic effect at 20–28 days, but morphologically identifiable B. mandrillaris amoebae were seen in cleared plaques in subcultures at 45 days. The identification of the organism was later confirmed using PCR on Chelex-treated extracts. Serum taken while the patient was still alive reacted strongly with slide antigen prepared from cultures of the post-mortem isolate, and also with those from a baboon B. mandrillaris strain at 1 : 10 000 in indirect immunofluorescence, but with Acanthamoeba castellanii (Neff) at 1 : 160, supporting B. mandrillaris to be the causative agent. If the presence of amoebae in the post-mortem CSF reflects the condition in life, PCR studies on CSF and on biopsies of cutaneous lesions may also be a valuable tool. The role of HBMECs in understanding the interactions of B. mandrillaris with the blood–brain barrier is discussed

Sputum inflammatory cells from patients with allergic rhinitis and asthma have decreased inflammasome gene expression

Deficits in inflammasomes, a key element of innate immunity, confer increased susceptibility to infection. We report that sputum cells from asthmatics have decreased expression of inflammasome factors, consistent with reports of increased infection risk in asthmatics

Electronic structure and magnetism of Mn doped GaN

Mn doped semiconductors are extremely interesting systems due to their novel magnetic properties suitable for the spintronics applications. It has been shown recently by both theory and experiment that Mn doped GaN systems have a very high Curie temperature compared to that of Mn doped GaAs systems. To understand the electronic and magnetic properties, we have studied Mn doped GaN system in detail by a first principles plane wave method. We show here the effect of varying Mn concentration on the electronic and magnetic properties. For dilute Mn concentration, $d$ states of Mn form an impurity band completely separated from the valence band states of the host GaN. This is in contrast to the Mn doped GaAs system where Mn $d$ states in the gap lie very close to the valence band edge and hybridizes strongly with the delocalized valence band states. To study the effects of electron correlation, LSDA+U calculations have been performed. Calculated exchange interaction in (Mn,Ga)N is short ranged in contrary to that in (Mn,Ga)As where the strength of the ferromagnetic coupling between Mn spins is not decreased substantially for large Mn-Mn separation. Also, the exchange interactions are anisotropic in different crystallographic directions due to the presence or absence of connectivity between Mn atoms through As bonds.Comment: 6 figures, submitted to Phys. Rev.

On-site Coulomb interaction and the magnetism of (GaMn)N and (GaMn)As

We use the local density approximation (LDA) and LDA+U schemes to study the magnetism of (GaMn)As and (GaMn)N for a number of Mn concentrations and varying number of holes. We show that for both systems and both calculational schemes the presence of holes is crucial for establishing ferromagnetism. For both systems, the introduction of $U$ increases delocalization of the holes and, simultaneously, decreases the p-d interaction. Since these two trends exert opposite influences on the Mn-Mn exchange interaction the character of the variation of the Curie temperature (T$_C$) cannot be predicted without direct calculation. We show that the variation of T$_C$ is different for two systems. For low Mn concentrations we obtain the tendency to increasing T$_C$ in the case of (GaMn)N whereas an opposite tendency to decreasing T$_C$ is obtained for (GaMn)As. We reveal the origin of this difference by inspecting the properties of the densities of states and holes for both systems. The main body of calculations is performed within a supercell approach. The Curie temperatures calculated within the coherent potential approximation to atomic disorder are reported for comparison. Both approaches give similar qualitative behavior. The results of calculations are related to the experimental data.Comment: to appear in Physical Review

Spectrum of non-Hermitian heavy tailed random matrices

Let (X_{jk})_{j,k>=1} be i.i.d. complex random variables such that |X_{jk}| is in the domain of attraction of an alpha-stable law, with 0< alpha <2. Our main result is a heavy tailed counterpart of Girko's circular law. Namely, under some additional smoothness assumptions on the law of X_{jk}, we prove that there exists a deterministic sequence a_n ~ n^{1/alpha} and a probability measure mu_alpha on C depending only on alpha such that with probability one, the empirical distribution of the eigenvalues of the rescaled matrix a_n^{-1} (X_{jk})_{1<=j,k<=n} converges weakly to mu_alpha as n tends to infinity. Our approach combines Aldous & Steele's objective method with Girko's Hermitization using logarithmic potentials. The underlying limiting object is defined on a bipartized version of Aldous' Poisson Weighted Infinite Tree. Recursive relations on the tree provide some properties of mu_alpha. In contrast with the Hermitian case, we find that mu_alpha is not heavy tailed.Comment: Expanded version of a paper published in Communications in Mathematical Physics 307, 513-560 (2011

Magnetic Interactions and Transport in (Ga,Cr)As

The magnetic, transport, and structural properties of (Ga,Cr)As are reported. Zincblende Ga$_{1-x}$Cr$_{x}$As was grown by low-temperature molecular beam epitaxy (MBE). At low concentrations, x$\sim$0.1, the materials exhibit unusual magnetic properties associated with the random magnetism of the alloy. At low temperatures the magnetization M(B) increases rapidly with increasing field due to the alignment of ferromagnetic units (polarons or clusters) having large dipole moments of order 10-10$^2$$\mu_B$. A standard model of superparamagnetism is inadequate for describing both the field and temperature dependence of the magnetization M(B,T). In order to explain M(B) at low temperatures we employ a distributed magnetic moment (DMM) model in which polarons or clusters of ions have a distribution of moments. It is also found that the magnetic susceptibility increases for decreasing temperature but saturates below T=4 K. The inverse susceptibility follows a linear-T Curie-Weiss law and extrapolates to a magnetic transition temperature $\theta$=10 K. In magnetotransport measurements, a room temperature resistivity of $\rho$=0.1 $\Omega$cm and a hole concentration of $\sim10^{20}$ cm$^{-3}$ are found, indicating that Cr can also act as a acceptor similar to Mn. The resistivity increases rapidly for decreasing temperature below room temperature, and becomes strongly insulating at low temperatures. The conductivity follows exp[-(T$_1$/T)$^{1/2}$] over a large range of conductivity, possible evidence of tunneling between polarons or clusters.Comment: To appear in PRB 15 Mar 200