First principles prediction of novel quantum topological insulator state in two-dimensional XMg2Bi2(X=Eu/Yb).

Topological insulator (TIs), a novel quantum state of materials, has a lot of significance in the development of low-power electronic equipments as the conducting edge states display exceptional endurance against back-scattering. The absence of suitable materials with high fabrication feasibility and significant nontrivial bandgap, is now the biggest hurdle in their potential applications in devices. Here, we illustrate using first principles density functional calculations that the quintuplet layers of EuMg2Bi2and YbMg2Bi2crystals are potential two-dimensional TIs with a sizeable nontrivial gaps of 72 meV and 147 meV respectively. Dynamical stability of these quintuplet layers of EuMg2Bi2and YbMg2Bi2is confirmed by our phonon calculations. The weakly coupled layered structure of parent compounds makes it possible for simple exfoliation from a three-dimensional structure. We observed gapless edge states inside the bulk band gap in both the systems which indicate their TI nature. Further, we observed the anomalous and spin Hall conductivities to be quantized in two dimensional EuMg2Bi2and YbMg2Bi2respectively. Our findings predict two viable candidate materials as two dimensional quantum TIs which can be explored by future experimental investigations and possible applications of quantized spin and anomalous Hall conductance in spintronics.

Metallicity and ferromagnetism in nanosystem of charge ordered Nd0.5Sr0.5MnO3.

The fascinating phenomenon of destabilization of charge/orbital order in Nd0.5Sr0.5MnO3 with the reduction of grain size is critically investigated. Based on our magnetic and transport experiments followed by a theoretical analysis, we analyze various possible mechanisms and try to delineate a universal scenario behind this phenomenon. We revisit this issue carefully and discuss various evidences from experiments in nano and bulk manganites on the absence of correlation between size reduction and pressure effects on manganites. We propose a phenomenological model based on enhanced surface disorder to explain the appearance of weak ferromagnetism and metallicity in nanosize Nd0.5Sr0.5MnO3 system. All evidence seems to suggest that the transport is mediated through the surface via enhanced density of states in the nanometric grains. We provide theoretical support for this by performing an ab-initio electronic structure calculation as well as from a recent numerical simulation and argue that the mechanism is likely to be general in all nanosize charge ordered manganites.

The effect of antisite disorder on magnetic and exchange bias properties of Gd-substituted Y2CoMnO6double perovskite.

Combining experimental investigations and first-principles density functional theory (DFT) calculations, we report physical and magnetic properties of Gd-substituted Y2CoMnO6double perovskite, which are strongly influenced by antisite-disorder-driven spin configurations. On Gd doping, Co and Mn ions are present in mixed-valence (Co3+, Co2+, Mn3+and Mn4+) states. Multiple magnetic transitions have been observed: (i) paramagnetic to ferromagnetic transition is found to occur atTC= 95.5 K, (ii) antiferromagnetic transition atTN= 47 K is driven by3d-4fpolarization and antisite disorder present in the sample, (iii) change in magnetization belowT⩽20 K, primarily originating from Gd ordering, as revealed from our DFT calculations. AC susceptibility measurement confirms the absence of any spin-glass or cluster-glass phases in this material. A significantly large exchange bias effect (HEB= 1.07 kOe) is found to occur below 47 K due to interfaces of FM and AFM clusters created by antisite-disorder.

Orbital order and electron itinerancy in CoV2O4 and Mn0.5Co0.5V2O4 from first principles.

In view of the recent experimental predictions of a weak structural transition in CoV2O4 we explore the possible orbital order states in its low temperature tetragonal phases from first principles density functional theory calculations. We observe that the tetragonal phase with I41/amd symmetry is associated with an orbital order involving complex orbitals with a reasonably large orbital moment at vanadium sites while in the phase with I41/a symmetry, the real orbitals with quenched orbital moment constitute the orbital order. Further, to study the competition between orbital order and electron itinerancy we considered Mn0.5Co0.5V2O4 as one of the parent compounds, CoV2O4, lies near itinerant limit while the other, MnV2O4, lies deep inside the orbitally ordered insulating regime. Orbital order and electron transport have been investigated using first principles density functional theory and Boltzmann transport theory in CoV2O4, MnV2O4 and Mn0.5Co0.5V2O4. Our results show that as we go from MnV2O4 to CoV2O4 there is enhancement in the electron's itinerancy while the nature of orbital order remains unchanged.

Emergence of weak pyrochlore phase and signature of field induced spin ice ground state in Dy2- x La x Zr2O7; x = 0, 0.15, 0.3.

The pyrochlore oxides Dy2Ti2O7 and Ho2Ti2O7 are well studied spin ice systems and have shown the evidences of magnetic monopole excitations. Unlike these, Dy2Zr2O7 is reported to crystallize in a distorted fluorite structure. We present here the magnetic and heat capacity studies of La substituted Dy2Zr2O7. Our findings suggest the absence of spin ice state in Dy2Zr2O7 but the emergence of the magnetic field induced spin freezing near T ≈ 10 K in ac susceptibility measurements which is similar to Dy2Ti2O7. The magnetic heat capacity of Dy2Zr2O7 shows a shift in the peak position from 1.2 K in zero field to higher temperatures in the magnetic field, with the corresponding decrease in the magnetic entropy. The low temperature magnetic entropy at 5 kOe field is R ln2 - (1/2)R ln(3/2) which is the same as for the spin ice state. Substitution of non-magnetic, isovalent La3+ for Dy3+ gradually induces the structural change from highly disordered fluorite to weakly ordered pyrochlore phase. The La3+ substituted compounds with less distorted pyrochlore phase show the spin freezing at lower field which strengthens further on the application of magnetic field. Our results suggest that the spin ice state can be stabilized in Dy2Zr2O7 either by slowing down of the spin dynamics or by strengthening the pyrochlore phase by suitable substitution in the system.

Magnetocaloric effects from an interplay of magnetic sublattices in Nd2NiMnO6.

We present a combined experimental and theoretical study to understand the magnetism and magnetocaloric behavior of the double perovskite Nd2NiMnO6. The magnetic susceptibility data confirms a ferromagnetic transition with [Formula: see text] K. An additional feature at T = 25 K, indicative of antiferromagnetic correlations, is present. A positive magnetocaloric effect (MCE) near [Formula: see text] and a negative MCE around T = 25 K is inferred from the temperature dependence of the change in magnetic entropy at low magnetic fields. The negative MCE peak is suppressed on the application of a magnetic field and can be made to switch to a conventional positive MCE upon increasing magnetic field. We understand and reproduce these features in Monte Carlo simulations of a phenomenological Heisenberg model for Nd2NiMnO6. The validity of the model is tested using density functional theory calculations. We argue that this simple understanding of the experimental observations in terms of two antiferromagnetically coupled sublattices allows these results to be useful across a broader class of magnetocaloric materials.

An experimental and theoretical study of magnetocaloric effect in Nd0.5Dy0.5FeO3.

A significant magnetocaloric effect (MCE) has been revealed in our investigation on polycrystalline Nd0.5Dy0.5FeO3 below 30 K. Observed magnetization of the system at low temperature is 32% higher than the expected average magnetization of NdFeO3 and DyFeO3. Such an enhancement in the magnetization led to a large change in magnetic entropy (10.4 Jkg-1 K-1) at 4 K. The observed entropy change is remarkable considering the higher natural abundance of Nd compared to that of Dy and negligible MCE seen in case of NdFeO3. Theoretical calculations performed using mean-field approximation and Monte Carlo simulations on an Ising type spin model indicate that the high magnetocaloric effect is caused primarily by the ordering of rare-earth ions in C-type antiferromagnetic state in presence of molecular exchange field created by Fe ions.

Nature of spiral state and absence of electric polarisation in Sr-doped YBaCuFeO5 revealed by first-principle study.

Experimental results on YBaCuFeO5, in its incommensurate magnetic phase, appear to disagree on its ferroelectric response. Ambiguity exists on the nature of the spiral magnetic state too. Using first-principles density functional theory (DFT) calculations for the parent compound within LSDA + U + SO approximation, we reveal the nature of spiral state. The helical spiral is found to be more stable below the transition temperature as spins prefer to lie in ab plane. Dzyaloshinskii-Moriya (DM) interaction turns out to be negligibly small and the spin current mechanism is not valid in the helical spiral state, ruling out an electric polarisation from either. These results are in very good agreement with the recent, high quality, single-crystal data. We also investigate the magnetic transition in YBa1-xSrxCuFeO5 for the entire range (0 ≤ x ≤ 1) of doping. The exchange interactions are estimated as a function of doping and a quantum Monte Carlo (QMC) calculation on an effective spin Hamiltonian shows that the paramagnetic to commensurate phase transition temperature increases with doping till x = 0.5 and decreases beyond. These observations are consistent with experimental findings.

First-Principles Correlated Approach to the Normal State of Strontium Ruthenate.

The interplay between multiple bands, sizable multi-band electronic correlations and strong spin-orbit coupling may conspire in selecting a rather unusual unconventional pairing symmetry in layered Sr2RuO4. This mandates a detailed revisit of the normal state and, in particular, the T-dependent incoherence-coherence crossover. Using a modern first-principles correlated view, we study this issue in the actual structure of Sr2RuO4 and present a unified and quantitative description of a range of unusual physical responses in the normal state. Armed with these, we propose that a new and important element, that of dominant multi-orbital charge fluctuations in a Hund's metal, may be a primary pair glue for unconventional superconductivity. Thereby we establish a connection between the normal state responses and superconductivity in this system.

Vitamin A absorption in ascariasis.

Vitamin A absorption was studied in a group of 28 adult patients with ascariasis and 12 healthy adult controls, using a simplified vitamin A absorption test. In over 70% of the patients with ascariasis malabsorption of vitamin A was demonstrated. Stool egg counts for ascaris were not related to the degree of vitamin A malabsorption. Of the 23 patients in whom a D-xylose absorption test was performed, seven showed excretion less than 20% in 5 hr. Immediately after expulsion of the worms, vitamin A absorption improved in 13 out of 14 patients tested (in nine to normal level). The results of this study suggest that ascariasis in populations on marginal intakes of vitamin A and its precursors is an important contributing factor in producing clinical vitamin A deficiency.

A specific solid-phase assay for the detection of immune complexes containing Entamoeba histolytica antigens.

An assay specific for immune complexes containing Entamoeba histolytica antigens has been developed. Rabbit antibody specific for human gamma globulin is attached to a solid phase (nitrocellulose). During the first incubation step polyethylene glycol-precipitated immune complexes are bound to the rabbit antibody attached to the solid phase. In the second incubation step a radiolabelled rabbit antibody specific for Entamoeba histolytica combines with E. histolytica antigens in the complexes. Quantitation of the radiolabel provides a direct measurement of the level of specific immune complexes. The principle of the method has been verified using artificial soluble immune complexes prepared by mixing a pool of serum containing a high titre of anti-E. histolytica antibodies (greater than 1:2048 by hemagglutination assay) with the E. histolytica antigen. This antigen was prepared from axenically cultured NIH:200 strains of Entamoeba histolytica. Using sera from patients with clinical amoebic disease this method detected immune complexes containing E. histolytica in a high proportion of cases.

Detection of immune complexes in tissues of persons infected with Entamoeba histolytica.

Immune complexes were detected by radioimmunoassay in colonic tissue from 71 to 122 patients (58%) excreting Entamoeba histolytica cysts and in liver tissue from 5 of 16 of these patients. Complexes were also found in colonic tissue from 9 of 56 other patients (16%) who were not excreting cysts.

Zymodeme alteration of Entamoeba histolytica isolates under varying conditions.

Cysts of Entamoeba histolytica obtained from 2 asymptomatic subjects were cloned in vitro and the isoenzyme patterns and virulence of the cultures derived from them were determined. Incubation in Diamond's TYI-S-33 medium with Crithidia sp. for 80 d resulted in a change from zymodeme III to zymodeme II, with consistent virulence. Axenization by replacing Crithidia sp. with crithidial lysate had no further effect on the zymodeme but the virulence of the amoebae was attenuated. A reversal to zymodeme III, together with augmentation of virulence, was observed on the 20th day after transfer of axenic amoebae to Diamond's TYSGM-9 medium containing the original bacterial flora. The possibility that the isoenzyme pattern determining the zymodeme and the virulence behave as 2 independent variables in E. histolytica is discussed.

High cell surface hydrophobicity of virulent Entamoeba histolytica isolates.

Thirty isolates of Entamoeba histolytica were examined for their cell surface hydrophobicity. It was observed that increased hydrophobicity of the trophozoites was associated with lesion-forming ability in hamster liver, a higher rate of erythrophagocytosis and greater resistance to complement. The relationship of cell surface hydrophobicity to other virulence markers in E. histolytica is discussed.

A model of hepatic amoebiasis in random bred mice.

This study describes a model of hepatic amoebiasis in random bred mice (MF2). Mice were infected by introducing liver tissue from hamsters (Mesocricetus auratus), containing about 5 X 10(4) trophozoites of Entamoeba histolytica, between adjacent liver lobes. Direct inoculation of xenic E. histolytica resulted in mortality within 24 h, whereas monoxenic and axenic strains failed to produce any lesions. Serial mouse liver passage resulted in increased lesion score, number of metastatic abscesses, and mortality. Metronidazole 150 mg/kg produced complete healing of the abscess. It is expected that this model will be useful to study host-parasite interactions, immunology and experimental chemotherapy of amoebiasis.

Significance of carcinoembryonic antigen in retinoblastoma.

The role of estimating the serum carcinoembryonic antigen (CEA) in the diagnosis and prognosis of retinoblastoma cases has been evaluated. Although the mean serum CEA titre in children with retinoblastoma was higher than that in control children (p = 0.01), the serum CEA level itself was found not to be a useful marker in the diagnosis of retinoblastoma. A significant correlation of serum CEA titre with progression or regression of the disease observed during therapy in most cases indicated that serial assays of serum CEA may be important in the follow-up of cases with retinoblastoma. The lower CEA values in aqueous humour and subretinal fluid from eyes with retinoblastoma than in the serum suggests that the tumour does not secrete the CEA.

Virulence of nonpathogenic zymodemes of Entamoeba histolytica isolates from asymptomatic subjects in Calcutta, India.

1. The zymodeme and virulence of 31 Entamoeba histolytica isolates obtained from asymptomatic human subjects in Calcutta, India are described. 2. Virulence was measured by the extent of lesion diameter (mm) induced by each isolate in the liver of golden hamsters and resistance of isolates to non-immune hamster sera in vitro. 3. Two nonpathogenic zymodemes, III (N = 17) and IV (N = 14), were detected among 31 isolates by isoenzyme electrophoresis. Most of the zymodeme III isolates were moderately to highly virulent while a quarter of the zymodeme IV were invasive although with low virulence. 4. The virulence of the isolates was found to have a significant positive correlation (r = 0.96, P < 0.001) with their greater resistance to complement-mediated lysis. 5. The data suggest that the virulence of E. histolytica is probably not related to its zymodeme.

Characterization of entamoeba histolytica antigens in circulating immune complexes in sera of patients with amoebiasis.

Isolated circulating immune complexes (CICs) from sera of patients with amoebiasis were characterized to determine Entamoeba histolytica antigens that participate in the disease process. In total, 116 serum samples were collected before starting anti-amoebic therapy, and their CICs were isolated by differential polyethylene glycol precipitation. The presence of amoeba-specific antigens in CICs was detected by antigen capture enzyme-linked immunosorbent assay (ELISA) and by immunoblot assay. Antigen capture ELISA showed significantly higher optical density (p < 0.001) in all patients with amoebiasis than in the normal healthy controls and patients of non-amoebic hepatic disorder. Immunoblot assay detected amoeba-specific CICs in all 18 patients (100%) with confirmed amoebic liver abscess, 28 (80%) of 35 patients with clinically-suspected amoebic liver abscess, and 18 (78.26%) of 23 patients with amoebic colitis. No patients with non-amoebic hepatic disorders and healthy control subjects had any detectable level of amoebic antigens in CICs. Immunoblot assay revealed E. histolytica antigens of relative molecular masses of 35, 56, 70, and 90 kDa present in CICs of 64 of 76 patients with amoebiasis. The 35-kDa polypeptide was observed in 52 patients (81.25%). The results of the study suggest that the 35-kDa polypeptide antigen can be a diagnostic marker in active amoebiasis.

Injection drug use in Calcutta: a potential focus for an explosive HIV epidemic.

Our objective was to assess HIV risk perceptions, risk behaviours and factors that may facilitate an increase in injection drug use in Calcutta. Focus group discussions and in-depth interviews were conducted with a selected group of drug users to delineate drug use patterns, languages used to express addictive and related experiences and acceptance of harm minimization messages. Results from these were used to develop a semi-structured interview instrument which was used to interview 111 drug users (76 IDUs and 35 non-IDUs) recruited from jails and detoxification centres. Secondary data of narcotic seizures for the last 5 years were collected from the Calcutta police department. Data on percentage of IDUs admitted to large detox facility in the city was also collected. Findings show that HIV/AIDS knowledge and risk perceptions were low; sharing of injection equipment was reported by 66% of the injectors; and condom use was insignificant. Non-availability, rising cost and increasing tolerance to heroin were cited as factors contributing to switch to injection. Ecological association was found between intensified police activity and an increase in: the amount of smokable heroin seized; increased injection of buprenorphine; and admission to detoxification centres. In addition to HIV, IDUs were also found to be prone to hepatitis B and C. The findings suggest an urgent need for developing and implementing community-based HIV prevention interventions targeting drug users in Calcutta.

Lactate dehydrogenase level and protein pattern in the aqueous humour of patients with retinoblastoma.

The diagnostic significance of the lactate dehydrogenase (LDH) level and the protein pattern in the aqueous humour was evaluated in patients with retinoblastoma who presented with leukokoria. The mean LDH level for the 14 retinoblastoma patients was significantly greater than the mean for 6 patients with leukokoria but without retinoblastoma (p less than 0.05) and the mean for 10 patients (controls) with senile cataract (p less than 0.01). Cellulose acetate membrane electrophoresis was performed on the aqueous humour of six of the patients with retinoblastoma, four of the patients with other causes of leukokoria and eight of the control patients. It showed that the protein in the aqueous humour was predominantly albumin in the patients with retinoblastoma; the globulin in these cases was usually beta-globulin. The protein was mostly or completely albumin in the three patients with Coats' disease, and the protein pattern simulated that in normal serum (owing to hemorrhage) in the patient with retinal detachment. No protein was detectable in the aqueous humour of the control patients. Thus, determining either the LDH level or the protein pattern in the aqueous humour can serve as a useful adjunct to the clinical diagnosis of retinoblastoma.