Institut für Anorganische und Analytische Chemie, Johannes Gutenberg-Universität, Mainz, Germany.
Adv Mater. 2012 Dec 11;24(47):6283-7. doi: 10.1002/adma.201201879. Epub 2012 Sep 11.
Band Jahn-Teller type structural instabilities of cubic Mn(2)YZ Heusler compounds causing tetragonal distortions can be predicted by ab initio band-structure calculations. This allows for identification of new Heusler materials with tunable magnetic and structural properties that can satisfy the demands for spintronic applications, such as in spin-transfer torque-based devices.
通过第一性原理能带结构计算,可以预测导致四方畸变的立方 Mn(2)YZ Heusler 化合物的 Jahn-Teller 型结构不稳定性。这使得能够识别具有可调磁和结构性能的新型 Heusler 材料,以满足基于自旋转移扭矩的器件等自旋电子应用的需求。