US-Austria Cooperative Research: Electronic Structure and Energetics of Surfaces and Alloys

该奖项支持西北大学的亚瑟·J·弗里曼教授 大学将继续进行电子 固体材料的结构与阿道夫·内克尔和雷蒙教授 该大学物理化学系的Podloucky 维也纳技术学院Peter Weinberger教授 电化学，维也纳技术大学。 该协作 这些大学的电子结构理论小组 积极参与高尖端的开发，充分 自洽的局部密度的计算机代码的计算， 块状固体、表面和合金的电子结构。 他们有 还从第一原理计算了自旋极化光电流。 最近成立的NSF特别感兴趣的租金- 资助的材料研究小组（MRG）的磁性 材料. 西北集团带来了丰富的经验， 计算薄膜的电子结构， 奥地利集团提供的能力，以执行计算的 角分辨光电发射和反向光电发射强度。 他们将使用这些计算方法共同研究一个 广泛的现象，包括磁性的 表面、界面、表面上的化学吸附覆盖层，以及 实验成员感兴趣的自旋极化光电流 的MRG。 他们也有兴趣继续研究 氧无序在新的高温性能 超导体 新材料研究小组以实验性的 计划使用先进的自旋敏感光谱技术， 先进的最先进的电子结构计算， 磁性和磁性材料研究的协调计划。 西北大学的一个关键因素是 自旋极化光电流一直是美国和美国之间的交流， 程序. 它允许开发软件来利用 强大的薄膜能力在西北开发，并已 也为高温光电效应的研究做出了贡献 超导体

This award supports Professor Arthur J. Freeman of Northwestern University to continue an ongoing joint study of the electronic structure of solid materials with Professors Adolf Neckel and Raimund Podloucky of the Department of Physical Chemistry of the University of Vienna and Professor Peter Weinberger, Institute of Technical Electrochemistry, Technical University of Vienna. The collaborating electronic structure theory groups at these universities have been actively involved in the development of highly sophisticated, fully self consistent local density computer codes for the calculation of the electronic structures of bulk solids, surfaces and alloys. They have also been calculating from first principles spin polarized photocur- rents which are of special interest to a recently established NSF- funded Materials Research Group (MRG) on the Magnetic Properties of Materials. The Northwestern group brings extensive experience in the calculation of the electronic structure of thin films and the two Austrian groups offer capabilities to perform calculations of the intensity of angle resolved photoemission and inverse photoemission. They will use these computational methods to investigate jointly a wide range of phenomena, including the magnetic properties of surfaces, interfaces, chemisorbed overlayers on surfaces, and the spin polarized photocurrents of interest to the experimental members of the MRG. They are also interested in pursuing studies of the role of oxygen disorder in the properties of the new high temperature superconductors. The new Materials Research Group is centered on an experimental program to use advanced spin-sensitive spectroscopic techniques and advanced state of the art electronic structure calculations in a coordinated program of research on magnetism and magnetic materials. A key factor in the ability of the Northwestern group to calculate spin-polarized photocurrents has been the Austrian-US exchange program. It has permitted the development of software for exploiting the powerful thin film capabilities developed at Northwestern and has also contributed to research on photoemission from high temperature superconductors.