Biomedical subjects

BC Chakoumakos

Publications and source records attributed to BC Chakoumakos.

13 recordsLinked to original sources

PubMed2000

Interanionic O-H small middle dot small middle dot small middle dotO Interactions: The Charge Density Point of View The Oak Ridge National Laboratory is managed by Lockheed Martin Energy Research Corporation for the US Department of Energy (DE-AC05-96OR22464). Prof. M. Moret and Dr. L. Carlucci are thanked for help in crystallizing large samples suitable for the neutron study. P.M. gratefully acknowledges DANSYNC center under the Danish Natural Science Research Council for a post-doctoral grant.

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Journal Article↗

PubMed1999

Disparate atomic displacements in skutterudite-type LaFe3CoSb12, a model for thermoelectric behavior.

Mean-square atomic displacements in lanthanum triiron cobalt dodecaantimonide, determined as a function of temperature using single-crystal neutron diffraction, show that the La atom exhibits an anomalously large displacement at room temperature, U(eq) = 0.0196 (9) Å(2), because it is too small to fill the atomic cage formed by the corner-linked octahedral framework of M(4)Sb(12), M = Fe, Co. Site-occupancy refinements show 25% vacancies on the La site and an actual Fe:Co ratio of 2.17:1. Analysis of the temperature dependence of the atomic displacements identifies a significant temperature-independent component for the La atom ascribed to static disorder, which amounts to 19% of the room-temperature value. The large-amplitude rattling of the La atom can be effectively linked to the dramatic decrease of the lattice contribution to the thermal conductivity, which is a key factor for improving the thermoelectric behavior of these materials. This structure-property relationship offers a new paradigm for the exploration of thermoelectric materials.

Journal Article↗

PubMed1996