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Choudhary, R.

Publications and source records attributed to Choudhary, R..

Half-metallicity in highly L2 1 -ordered CoFeCrAl thin films

The structural, magnetic, and electron-transport properties of Heusler-ordered CoFeCrAl thin films are investigated experimentally and theoretically. The films, sputtered onto MgO and having thicknesses of about 100 nm, exhibit virtually perfect single-crystalline epitaxy and a high degree of L2 1 chemical order. X-ray diffraction and transmission-electron microscopy show that the structure of the films is essentially of the L21 Heusler type. The films are ferrimagnetic, with a Curie temperature of about 390 K, and a net moment of 2 μ B per formula unit. The room temperature resistivity is 175 μΩ cm; the carrier concentration and mobility determined from the low temperature (5 K) measurement are 1.2 × 10 18 cm -3 and 33 cm 2 /V s, respectively. In contrast to the well-investigated Heusler alloys such as Co 2 (Cr 1-x Fe x )Al, the CoFeCrAl system exhibits two main types of weak residual A2 disorder, namely, Co-Cr disorder and Fe-Cr disorder, the latter conserving half-metallicity. Point-contact Andreev reflection yields a lower bound for the spin polarization, 68% at 1.85 K, but our structural and magnetization analyses suggest that the spin polarization at the Fermi level is probably higher than 90%. The high resistivity, spin polarization, and Curie temperature are encouraging in the context of spin electronics.

Jin, Y.↗

Spin-modified catalysis

First-principle calculations are used to explore the use of magnetic degrees of freedom in catalysis. We use the Vienna Ab-Initio Simulation Package to investigate both L1{sub 0}-ordered FePt and CoPt bulk materials and perform supercell calculations for FePt nanoclusters containing 43 atoms. As the catalytic activity of transition-metal elements and alloys involves individual d levels, magnetic alloying strongly affects the catalytic performance, because it leads to shifts in the local densities of states and to additional peaks due to magnetic-moment formation. The peak shift persists in nanoparticles but is surface-site specific and therefore depends on cluster size. Our research indicates that small modifications in stoichiometry and cluster size are a useful tool in the search for new catalysts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗