Long & Medium-Term Research: Electronic Band Structures and Chemical Bonding in Mixed Organic/Organometallic Charge Transfer Salts and Phosphate Tungsten Bronzes This award recommendation is made under the Program for Long & Medium-Term Research at Foreign Centers of Excellence. The program seeks to enable US scientists and engineers to conduct long-term research abroad at research institutions of proven excellence. Awards provide opportunities for the conduct of joint research, and the use of unique or comple- mentary facilities, expertise and experimental conditions in foreign countries. This award is for a proposal sponsored by Dr. Malcolm H. Chisholm to support a 12 month post-doctoral visit by Dr. James D. Martin to France to work with Dr. Enric Canadell of the Universit de Paris-Sud on "Electronic Band Structures and Chemical Bonding in Mixed Organic/Organometallic Charge Transfer Salts and Phosphate Tungsten Bronzes." The synthesis of new solid state materials with predictable physical properties is presently a major challenge for chemists. Central to achieving this goal is an understanding of how electronic structures are related to specific crystal structures of a material. Dr. Martin proposes to examine the electronic structures of organic/organometallic charge transfer salts and phosphate tungsten bronzes. Calculation of the band structures and Fermi surfaces of the respective solids is expected to provide fundamental understanding of the relationships between crystal structures and physical properties. Large and complex unit cells of solids make the consideration of all orbital interactions quite difficult. For this reason, the perspective of "molecules in solids" will be used to identify features of the crystal structures essential for the description of specific electronic properties. The award recommendation provides funds to cover, as appropriate, international travel, local travel abroad, stipend, dependents' allowance if applicable, and a flat administrative allowance of $250 for the U.S. home institution.
