First principles investigation of finite-temperature behavior in small sodium clusters

A systematic and detailed investigation of the finite-temperature behavior of small sodium clusters, Na_n, in the size range of n= 8 to 50 are carried out. The simulations are performed using density-functional molecular-dynamics with ultrasoft pseudopotentials. A number of thermodynamic indicators such as specific heat, caloric curve, root-mean-square bond length fluctuation, deviation energy, etc. are calculated for each of the clusters. Size dependence of these indicators reveals several interesting features. The smallest clusters with n= 8 and 10, do not show any signature of melting transition. With the increase in size, broad peak in the specific heat is developed, which alternately for larger clusters evolves into a sharper one, indicating a solidlike to liquidlike transition. The melting temperatures show irregular pattern similar to experimentally observed one for larger clusters [ M. Schmidt et al., Nature (London) 393, 238 (1998) ]. The present calculations also reveal a remarkable size-sensitive effect in the size range of n= 40 to 55. While Na_40 and Na_55 show well developed peaks in the specific heat curve, Na_50 cluster exhibits a rather broad peak, indicating a poorly-defined melting transition. Such a feature has been experimentally observed for gallium and aluminum clusters [ G. A. Breaux et al., J. Am. Chem. Soc. 126, 8628 (2004); G. A.Breaux et al., Phys. Rev. Lett. 94, 173401 (2005) ].Comment: 8 pages, 11 figure

Effect of geometric and electronic structures on the finite temperature behavior of Na58_{58}, Na57_{57}, and Na55_{55} clusters

An analysis of the evolutionary trends in the ground state geometries of Na$_{55}$ to Na$_{62}$ reveals Na$_{58}$, an electronic closed--shell system, shows namely an electronically driven spherical shape leading to a disordered but compact structure. This structural change induces a strong {\it connectivity} of short bonds among the surface atoms as well as between core and surface atoms with inhomogeneous strength in the ground state geometry, which affects its finite--temperature behavior. By employing {\it ab initio} density--functional molecular dynamics, we show that this leads to two distinct features in specific heat curve compared to that of Na$_{55}$: (1) The peak is shifted by about 100 K higher in temperature. (2) The transition region becomes much broader than Na$_{55}$. The inhomogeneous distribution of bond strengths results in a broad melting transition and the strongly connected network of short bonds leads to the highest melting temperature of 375 K reported among the sodium clusters. Na$_{57}$, which has one electron less than Na$_{58}$, also possesses stronger short--bond network compared with Na$_{55}$, resulting in higher melting temperature (350 K) than observed in Na$_{55}$. Thus, we conclude that when a cluster has nearly closed shell structure not only geometrically but also electronically, it show a high melting temperature. Our calculations clearly bring out the size--sensitive nature of the specific heat curve in sodium clusters.Comment: 7 pages, 11 figure

Critical current of a superconductor measured via injection of spin polarized carriers

In this paper we report a direct evidence of the suppression of critical current due to pair-breaking in a superconducting micro-bridge when the measurement is carried out by injecting spin polarised carriers instead of normal electrons. A thin layer of La0.7Ca0.3MnO3 was used as the source of spin polarised carriers. The micro-bridge was formed on the DyBa2Cu3O7-d thin film by photo-lithographic techniques. The design of our spin-injection device allowed us to inject spin-polarised carriers from the La0.7Ca0.3MnO3 layer directly to the DyBa2Cu3O7- d micro-bridge (without any insulating buffer layer) making it possible to measure the critical current when polarised electrons alone are injected into the superconductor. Our results confirm the role of polarised carriers in breaking the Cooper pairs in the superconductor.Comment: 8 pages, 4 figure

Geometric, electronic properties and the thermodynamics of pure and Al--doped Li clusters

The first--principles density functional molecular dynamics simulations have been carried out to investigate the geometric, the electronic, and the finite temperature properties of pure Li clusters (Li$_{10}$, Li$_{12}$) and Al--doped Li clusters (Li$_{10}$Al, Li$_{10}$Al$_2$). We find that addition of two Al impurities in Li$_{10}$ results in a substantial structural change, while the addition of one Al impurity causes a rearrangement of atoms. Introduction of Al--impurities in Li$_{10}$ establishes a polar bond between Li and nearby Al atom(s), leading to a multicentered bonding, which weakens the Li--Li metallic bonds in the system. These weakened Li--Li bonds lead to a premelting feature to occur at lower temperatures in Al--doped clusters. In Li$_{10}$Al$_2$, Al atoms also form a weak covalent bond, resulting into their dimer like behavior. This causes Al atoms not to `melt' till 800 K, in contrast to the Li atoms which show a complete diffusive behavior above 400 K. Thus, although one Al impurity in Li$_{10}$ cluster does not change its melting characteristics significantly, two impurities results in `surface melting' of Li atoms whose motions are confined around Al dimer.Comment: 9 pages, 7 figure

Conservation and sustainable use of tropical fruit species diversity: Bioversity's efforts in Asia, the Pacific and Oceania

Asia, the Pacific and Oceania region is very rich in genetic diversity of tropical fruits. Although, fruits have always been important agricultural species, it is only in recent years that there is an increasing awareness of the potential of native tropical fruit species as good sources of dietary vitamins, minerals and energy. They also play a very signifi cant role for the wellbeing of the people through enhancing household income, employment generation particularly for women, and environmental protection. At the same time, their genetic diversity and even the species diversity is threatened due to various human interventions and concerted efforts are required to take corrective measures. Bioversity International, in collaboration with national partners, implemented in recent past several programmes for effective conservation and sustainable use of genetic resources of tropical fruits in the region and is continuing to do so. This paper describes the results of studies on various aspects of tropical fruit genetic diversity and species diversity as well as their sustainable use in major fruit growing countries in Asia, the Pacifi c and Oceania in the last decade and half. The studies included exploration and collecting, characterization and evaluation, identifi cation of promising/elite lines, documentation, conservation, training and capacity building, socio-economic analysis, information dissemination, collaboration and networking, impacts and sustainability of efforts. The paper also touches on the current efforts and future thrusts for tropical fruit species genetic resources conservation, management and sustainable use

Dependence of the 0.5(2e2/h) conductance plateau on the aspect ratio of InAs quantum point contacts with in-plane side gates

The observation of a 0.5 conductance plateau in asymmetrically biased quantum point contacts with in-plane side gates has been attributed to the onset of spin-polarized current through these structures. For InAs quantum point contacts with the same width but longer channel length, there is roughly a fourfold increase in the range of common sweep voltage applied to the side gates over which the 0.5 conductance plateau is observed when the QPC aspect ratio (ratio of length over width of the narrow portion of the structure) is increased by a factor 3. Non-equilibrium Green s function simulations indicate that the increase in the size of the 0.5 conductance plateau is due to an increased importance, over a larger range of common sweep voltage, of the effects of electron-electron interactions in QPC devices with larger aspect ratio. The use of asymmetrically biased QPCs with in-plane side gates and large aspect ratio could therefore pave the way to build robust spin injectors and detectors for the successful implementation of spin field effect transistorsComment: 30 pages, 9 figure

Risiko Npl Kredit Bank Pembangunan Daerah Sebagai Regional Champion

The focus of this research was to identify the impact of BPD Regional Champion Program to each bank's NPL.This research used a panel data analysis for the observation period of 2008 – 2011. The selected random effectsmodel identified the determinant of NPL from bank specific variables and external factors. The Model was thensimulated by the indicative targets of minimum loan growth of 20% and minimum portion of productive loanof 40%. This research revealed that the Program might cause higher estimated NPL for 12 banks while for theother 13 banks the estimated NPL would be lower than the real NPL