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：混合有机/有机金属电荷转移盐和磷酸盐钨青铜中的电子能带结构和化学键。该奖项是在国外卓越中心长期中期研究计划下推荐的。该项目旨在使美国科学家和工程师能够在国外被证明卓越的研究机构进行长期研究。该奖项为开展联合研究以及利用国外独特或互补的设施、专业知识和实验条件提供了机会。该奖项由Malcolm H. Chisholm博士赞助，旨在支持James D. Martin博士赴法国进行为期12个月的博士后访问，与巴黎大学的Enric Canadell博士一起研究“混合有机/有机金属电荷转移盐和磷酸盐钨青铜中的电子带结构和化学键”。合成具有可预测物理性质的新型固态材料是目前化学家面临的主要挑战。实现这一目标的核心是理解电子结构如何与材料的特定晶体结构相关。马丁博士建议研究有机/有机金属电荷转移盐和磷酸盐钨青铜的电子结构。计算各自固体的能带结构和费米表面有望为晶体结构和物理之间的关系提供基本的理解属性。大而复杂的固体单位胞使得考虑所有的轨道相互作用相当困难。出于这个原因，“固体中的分子”的观点将被用来识别描述特定电子性质所必需的晶体结构的特征。​奖励建议提供资金，酌情支付国际旅行、国外当地旅行、津贴、家属津贴（如适用）、以及美国家庭机构250美元的固定行政津贴。

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.