Long & Medium Term Research: Electronic Band Structures andChemical Bonding in Mixed Organic/Organometallic Charge Transfer Salts and Phosphate Tungsten Bronzes

长期中期研究：电子能带结构和 混合有机/有机电荷中的化学键 转移盐和磷酸盐钨青铜 该奖项是根据长期计划提出的。 &在国外卓越中心的中期研究。 的 该计划旨在使美国科学家和工程师能够 在国外的研究机构进行长期研究， 证明卓越。 奖项提供了机会， 开展联合研究，以及使用独特或复杂的 实验设施、专业知识和实验条件 国外 这个奖项是由马尔科姆·H博士赞助的一项提案。 奇泽姆支持博士12个月的博士后访问。 James D.马丁到法国与博士.恩里克Canadell 南巴黎大学关于“电子能带结构 有机/有机混合电荷中的化学键 转移盐和磷酸盐钨青铜。“综合 具有可预测物理性能的新型固态材料 化学性质是目前化学家面临的主要挑战。 实现这一目标的核心是了解如何 电子结构与特定晶体有关 材料的结构。 马丁博士建议检查 有机/有机金属电荷的电子结构 转移盐和磷酸盐钨青铜。 计算 的能带结构和费米面的各自的 固体有望提供基本的理解， 晶体结构和物理性质之间的关系 特性. 固体的大而复杂的晶胞使 考虑所有轨道的相互作用是相当困难的。 因此，“固体中的分子”的观点 将用于识别晶体结构的特征 对于描述特定的电子 特性. 授标建议提供资金， 适当的，国际旅行，出国当地旅行， 津贴，家属津贴（如适用）和公寓 美国本土机构的行政津贴为250美元。

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.