Ohmic contacts to n-type germanium with low specific contact resistivity

A low temperature nickel process has been developed that produces Ohmic contacts to n-type germanium with specific contact resistivities down to (2.3 ± 1.8) x10<sup>-7</sup> Ω-cm<sup>2</sup> for anneal temperatures of 340 degC. The low contact resistivity is attributed to the low resistivity NiGe phase which was identified using electron diffraction in a transmission electron microscope. Electrical results indicate that the linear Ohmic behaviour of the contact is attributed to quantum mechanical tunnelling through the Schottky barrier formed between the NiGe alloy and the heavily doped n-Ge.<p></p&gt

X-ray absorption study of Ti-activated sodium aluminum hydride

Ti K-edge x-ray absorption near edge spectroscopy (XANES) was used to explore the Ti valence and coordination in Ti-activated sodium alanate. An empirical relationship was established between the Ti valence and the Ti K-edge onset based on a set of standards. This relationship was used to estimate oxidation states of the titanium catalyst in 2 mol% and 4 mol% Ti-doped NaAlH4. These results demonstrate that the formal titanium valence is zero in doped sodium alanate and nearly invariant during hydrogen cycling. A qualitative comparison of the edge fine structure suggests that the Ti is present on the surface in the form of amorphous TiAl3.Comment: 3 pages, 4 figures, submitted to Appl. Phys. Let

Identifying structural and energetic trends in isovalent core-shell nanoalloys as a function of composition and size mismatch

Producción CientíficaWe locate the putative global minimum structures of NaxCs(55 − x) and LixCs(55 − x) nanoalloys through combined empirical potential and density functional theory calculations, and compare them to the structures of 55-atom Li-Na and Na-K nanoalloys obtained in a recent paper [A. Aguado and J. M. López, J. Chem. Phys. 133, 094302 (2010)10.1063/1.3479396]. Alkali nanoalloys are representative of isovalent metallic mixtures with a strong tendency towards core-shell segregation, and span a wide range of size mismatches. By comparing the four systems, we analyse how the size mismatch and composition affect the structures and relative stabilities of these mixtures, and identify useful generic trends. The Na-K system is found to possess a nearly optimal size mismatch for the formation of poly-icosahedral (pIh) structures with little strain. In systems with a larger size mismatch (Na-Cs and Li-Cs), frustration of the pIh packing induces for some compositions a reconstruction of the core, which adopts instead a decahedral packing. When the size mismatch is smaller than optimal (Li-Na), frustration leads to a partial amorphization of the structures. The excess energies are negative for all systems except for a few compositions, demonstrating that the four mixtures are reactive. Moreover, we find that Li-Cs and Li-Na mixtures are more reactive (i.e., they have more negative excess energies) than Na-K and Na-Cs mixtures, so the stability trends when comparing the different materials are exactly opposite to the trends observed in the bulk limit: the strongly non-reactive Li-alkali bulk mixtures become the most reactive ones at the nanoscale. For each material, we identify the magic composition xm which minimizes the excess energy. xm is found to increase with the size mismatch due to steric crowding effects, and for LixCs(55 − x) the most stable cluster has almost equiatomic composition. We advance a simple geometric packing rule that suffices to systematize all the observed trends in systems with large size mismatch (Na-K, Na-Cs, and Li-Cs). As the size mismatch is reduced, however, electron shell effects become more and more important and contribute significantly to the stability of the Li-Na system

The influence of transition metal solutes on dislocation core structure and values of Peierls stress and barrier in tungsten

Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of $1/2$ screw dislocations in binary tungsten-transition metal alloys (W$_{1-x}$TM$_{x}$) were investigated using first principles electronic structure calculations. The periodic quadrupole approach was applied to model the structure of $1/2$ dislocation. Alloying with transition metals was modeled using the virtual crystal approximation and the applicability of this approach was assessed by calculating the equilibrium lattice parameter and elastic constants of the tungsten alloys. Reasonable agreement was obtained with experimental data and with results obtained from the conventional supercell approach. Increasing the concentration of a transition metal from the VIIIA group, i.e. the elements in columns headed by Fe, Co and Ni, leads to reduction of the $C^\prime$ elastic constant and increase of elastic anisotropy A=$C_{44}/C^\prime$. Alloying W with a group VIIIA transition metal changes the structure of the dislocation core from symmetric to asymmetric, similar to results obtained for W$_{1-x}$Re$_{x}$ alloys in the earlier work of Romaner {\it et al} (Phys. Rev. Lett. 104, 195503 (2010))\comments{\cite{WRECORE}}. In addition to a change in the core symmetry, the values of the Peierls stress and barrier are reduced. The latter effect could lead to increased ductility in a tungsten-based alloy\comments{\cite{WRECORE}}. Our results demonstrate that alloying with any of the transition metals from the VIIIA group should have similar effect as alloying with Re.Comment: 12 pages, 8 figures, 3 table

A new polymorphic material? Structural degeneracy of ZrMn_2

Based on density functional calculations, we propose that ZrMn_2 is a polymorphic material. We predict that at low temperatures the cubic C15, and the hexagonal C14 and C36 structures of the Laves phase compound ZrMn_2 are nearly equally stable within 0.3 kJmol^{-1} or 30 K. This degeneracy occurs when the Mn atoms magnetize spontaneously in a ferromagnetic arrangement forming the states of lowest energy. From the temperature dependent free energies at T approx 160K we predict a transition from the most stable C15 to the C14 structure, which is the experimentally observed structure at elevated temperatures.Comment: 4 pages, 3 figure

Enhancement of Critical Current Density in low level Al-doped MgB2

Two sets of MgB2 samples doped with up to 5 at. % of Al were prepared in different laboratories using different procedures. Decreases in the a and c lattice parameters were observed with Al doping confirming Al substitution onto the Mg site. The critical temperature (Tc) remained largely unchanged with Al doping. For 1 - 2.5 at.% doping, at 20K the in-field critical current densities (Jc's) were enhanced, particularly at lower fields. At 5K, in-field Jc was markedly improved, e.g. at 5T Jc was enhanced by a factor of 20 for a doping level of 1 at.% Al. The improved Jcs correlate with increased sample resistivity indicative of an increase in the upper critical field, Hc2, through alloying.Comment: 17 pages, 4 figures, to be published in Superconductor Science and Technolog

Direct Observation of Martensitic Phase-Transformation Dynamics in Iron by 4D Single-Pulse Electron Microscopy

The in situ martensitic phase transformation of iron, a complex solid-state transition involving collective atomic displacement and interface movement, is studied in real time by means of four-dimensional (4D) electron microscopy. The iron nanofilm specimen is heated at a maximum rate of ∼10^(11) K/s by a single heating pulse, and the evolution of the phase transformation from body-centered cubic to face-centered cubic crystal structure is followed by means of single-pulse, selected-area diffraction and real-space imaging. Two distinct components are revealed in the evolution of the crystal structure. The first, on the nanosecond time scale, is a direct martensitic transformation, which proceeds in regions heated into the temperature range of stability of the fcc phase, 1185−1667 K. The second, on the microsecond time scale, represents an indirect process for the hottest central zone of laser heating, where the temperature is initially above 1667 K and cooling is the rate-determining step. The mechanism of the direct transformation involves two steps, that of (barrier-crossing) nucleation on the reported nanosecond time scale, followed by a rapid grain growth typically in ∼100 ps for 10 nm crystallites

Intermediate phase, network demixing, boson and floppy modes, and compositional trends in glass transition temperatures of binary AsxS1-x system

The structure of binary As_xS_{1-x} glasses is elucidated using modulated-DSC, Raman scattering, IR reflectance and molar volume experiments over a wide range (8%<x<41%) of compositions. We observe a reversibility window in the calorimetric experiments, which permits fixing the three elastic phases; flexible at x<22.5%, intermediate phase (IP) in the 22.5%<x<29.5% range, and stressed-rigid at x>29.5%. Raman scattering supported by first principles cluster calculations reveal existence of both pyramidal (PYR, As(S1/2)3) and quasi-tetrahedral(QT, S=As(S1/2)3) local structures. The QT unit concentrations show a global maximum in the IP, while the concentration of PYR units becomes comparable to those of QT units in the phase, suggesting that both these local structures contribute to the width of the IP. The IP centroid in the sulfides is significantly shifted to lower As content x than in corresponding selenides, a feature identified with excess chalcogen partially segregating from the backbone in the sulfides, but forming part of the backbone in selenides. These ideas are corroborated by the proportionately larger free volumes of sulfides than selenides, and the absence of chemical bond strength scaling of Tgs between As-sulfides and As-selenides. Low-frequency Raman modes increase in scattering strength linearly as As content x of glasses decreases from x = 20% to 8%, with a slope that is close to the floppy mode fraction in flexible glasses predicted by rigidity theory. These results show that floppy modes contribute to the excess vibrations observed at low frequency. In the intermediate and stressed rigid elastic phases low-frequency Raman modes persist and are identified as boson modes. Some consequences of the present findings on the optoelectronic properties of these glasses is commented upon.Comment: Accepted for PR

Tetragonal magnetostriction and magnetoelastic coupling in Fe-Al, Fe-Ga, Fe-Ge, Fe-Si, Fe-Ga-Al, and Fe-Ga-Ge alloys

This paper presents a comparative study on the tetragonal magnetostriction constant,λγ,2, [ = (3/2)λ100] and magnetoelastic coupling, b1, of binary Fe100-xZx (0 \u3c x \u3c 35, Z = Al, Ga, Ge, and Si) and ternary Fe-Ga-Al and Fe-Ga-Ge alloys. The quantities are corrected for magnetostrains due to sample geometry (the magnetostrictive form effect). Recently published elastic constant data along with magnetization measurements at both room temperature and 77 K make these corrections possible. The form effect correction lowers the magnetostriction by ∼10 ppm for high-modulus alloys and by as much as 30 ppm for low-modulus alloys. The elastic constants are also used to determine the values of the magnetoelastic coupling constant, b1. With the new magnetostriction data on the Fe-Al-Ga alloy, it is possible to show how the double peak magnetostriction feature of the binary Fe-Ga alloy flows into the single peak binary Fe-Al alloy. The corrected magnetostriction and magnetoelastic coupling data for the various alloys are also compared using the electron-per-atom ratio, e/a, as the common variable. The Hume-Rothery rules link thee/a ratio to the regions of phase stability, which appear to be intimately related to the magnetostriction versus the solute concentration curve in these alloys. Using e/a as the abscissa tends to align the peaks in the magnetostriction and magnetoelastic coupling for the Fe-Ga, Fe-Ge, Fe-Al, Fe-Ga-Al, and Fe-Ga-Ge alloys, but not for the Fe-Si alloys for which the larger atomic size difference may play a greater role in phase stabilization. Corrections for the form effect are also presented for the rhombohedral magnetostriction,λɛ,2, and the magnetoelastic coupling, b2, of Fe100-xGax (0 \u3c x \u3c 35) alloys

Unusual thermoelectric behavior of packed crystalline granular metals

Loosely packed granular materials are intensively studied nowadays. Electrical and thermal transport properties should reflect the granular structure as well as intrinsic properties. We have compacted crystalline $CaAl$ based metallic grains and studied the electrical resistivity and the thermoelectric power as a function of temperature ($T$) from 15 to 300K. Both properties show three regimes as a function of temperature. It should be pointed out : (i) The electrical resistivity continuously decreases between 15 and 235 K (ii) with various dependences, e.g. $\simeq$ $T^{-3/4}$ at low $T$, while (iii) the thermoelectric power (TEP) is positive, (iv) shows a bump near 60K, and (v) presents a rather unusual square root of temperature dependence at low temperature. It is argued that these three regimes indicate a competition between geometric and thermal processes, - for which a theory seems to be missing in the case of TEP. The microchemical analysis results are also reported indicating a complex microstructure inherent to the phase diagram peritectic intricacies of this binary alloy.Comment: to be published in J. Appl. Phys.22 pages, 8 figure