Theoretical study of magnetism, structure and chemical order in transition-metal alloy clusters

Research on transition-metal nanoalloy clusters composed of a few atoms is fascinating by their unusual properties due to the interplay among the structure, chemical order and magnetism. Such nanoalloy clusters, can be used to construct nanometer devices for technological applications by manipulating their remarkable magnetic, chemical and optical properties. Determining the nanoscopic features exhibited by the magnetic alloy clusters signifies the need for a systematic global and local exploration of their potential-energy surface in order to identify all the relevant energetically low-lying magnetic isomers. In this thesis the sampling of the potential-energy surface has been performed by employing the state-of-the-art spin-polarized density-functional theory in combination with graph theory and the basin-hopping global optimization techniques. This combination is vital for a quantitative analysis of the quantum mechanical energetics. The first approach, i.e., spin-polarized density-functional theory together with the graph theory method, is applied to study the Fe$_m$Rh$_n$ and Co$_m$Pd$_n$ clusters having $N = m+n \leq 8$ atoms. We carried out a thorough and systematic sampling of the potential-energy surface by taking into account all possible initial cluster topologies, all different distributions of the two kinds of atoms within the cluster, the entire concentration range between the pure limits, and different initial magnetic configurations such as ferro- and anti-ferromagnetic coupling. The remarkable magnetic properties shown by FeRh and CoPd nanoclusters are attributed to the extremely reduced coordination number together with the charge transfer from 3$d$ to 4$d$ elements. The second approach, i.e., spin-polarized density-functional theory together with the basin-hopping method is applied to study the small Fe$_6$, Fe$_3$Rh$_3$ and Rh$_6$ and the larger Fe$_{13}$, Fe$_6$Rh$_7$ and Rh$_{13}$ clusters as illustrative benchmark systems. This method is able to identify the true ground-state structures of Fe$_6$ and Fe$_3$Rh$_3$ which were not obtained by using the first approach. However, both approaches predict a similar cluster for the ground-state of Rh$_6$. Moreover, the computational time taken by this approach is found to be significantly lower than the first approach. The ground-state structure of Fe$_{13}$ cluster is found to be an icosahedral structure, whereas Rh$_{13}$ and Fe$_6$Rh$_7$ isomers relax into cage-like and layered-like structures, respectively. All the clusters display a remarkable variety of structural and magnetic behaviors. It is observed that the isomers having similar shape with small distortion with respect to each other can exhibit quite different magnetic moments. This has been interpreted as a probable artifact of spin-rotational symmetry breaking introduced by the spin-polarized GGA. The possibility of combining the spin-polarized density-functional theory with some other global optimization techniques such as minima-hopping method could be the next step in this direction. This combination is expected to be an ideal sampling approach having the advantage of avoiding efficiently the search over irrelevant regions of the potential energy surface.

Spatial and harvesting influence on growth, yield, quality and economic potential of Kalmegh (Andrographis paniculata Wall Ex. Nees)

Andrographis paniculata, commonly known as Kalmegh, is used both in Ayurvedic and Unani system of medicines because of its immunological, antibacterial and hepatoprotective properties. This study was carried out to investigate the influence of four harvesting times (120,135,150 days after planting and at seed maturity) and four planting distances (30×15, 30×10, 20×15 and 20×10 cm) on growth, dry herbage biomass, seed yield and quality traits of Andrographis paniculata at CCS Haryana Agricultural University, Hisar, India in the two years 2005 and 2006. The treatments were laid out in a split plot design with three replications. The maximum values for dry herbage biomass yield (5.14 t ha^(-1)), net returns (760.00 EUR ha^(-1)), B:C ratio (2.59), andrographolide content (2.63%) and total yield (135.00 kg ha^(-1)) were detected 135 days after planting with an optimum planting distance of 30×15 cm. However, the maximum iron content was estimated 120 days after planting. The highest dry herbage (4.58 t ha^(-1)) and maximum seed yield (19.7 kg ha^(-1)) were registered at plants that were lined out with a distance of 20×10 cm.

Work and economic security in the 21st century

In recent decades there has been a transformation of two central concepts of modernity – labour and the household. Ela Bhatt – the founder of the Self-Employed Women’s Association of India (SEWA), has made an important contribution to this transformation. Through the emergence of unions such as SEWA, the notion of who represents labour is being broadened; the marginalised are finding an institutional voice. Increasingly, the household is being recognised as a site of both production and reproduction. SEWA is not a traditional trade union that aims, through collective bargaining with an employer, to improve its members’ wages and working conditions as sellers of their labour power. Instead, it aims to empower women economically in the informal economy by bringing them into the mainstream economy as owners of their labour. The union dimension of SEWA builds their collective power through struggle; the cooperative dimension translates their bargaining power into the economic and social development of its members and their community. Besides, Bhatt’s approach to the self-employed was a direct challenge to the ILO’s tripartism when it was established in the early seventies. The first part of the paper provides a short biography of Ela Bhatt, describes the origins of SEWA, analyses a ‘classification struggle’ over how and who is to define what a worker is. In the second part the author considers SEWAs innovative organizing strategy and is rethinking modernity in the labour context. In the conclusion the paper discusses the lessons that can be learnt from Ela Bhatt.