Laboratoire Matériaux et Phénomènes Quantiques, Université Paris Diderot-Paris 7, UMR CNRS 7162, 75205 Paris Cedex 13, France.
Phys Rev Lett. 2010 Jul 30;105(5):056101. doi: 10.1103/PhysRevLett.105.056101. Epub 2010 Jul 28.
Using scanning tunneling microscopy and a diffraction experiment, we have discovered a new ordered surface alloy made out of two bulk-immiscible components, Fe and Au, deposited on a Ru(0001) substrate. In such a system, substrate-mediated strain interactions are believed to provide the main driving force for mixing. However, spin-polarized ab initio calculations show that the most stable structures are always the ones with the highest magnetic moment per Fe atom and not the ones minimizing the surface stress, in remarkable agreement with the observations. This opens up novel possibilities for creating materials with unique properties of relevance to device applications.
使用扫描隧道显微镜和衍射实验，我们发现了一种由两种体不混溶的成分（Fe 和 Au）组成的新的有序表面合金，它们沉积在 Ru(0001)衬底上。在这样的系统中，被认为是由衬底介导的应变相互作用提供了混合的主要驱动力。然而，基于自旋极化的第一性原理计算表明，最稳定的结构总是每个 Fe 原子具有最高磁矩的结构，而不是最小化表面应力的结构，这与观察结果非常一致。这为创造具有独特性能的材料开辟了新的可能性，这些材料与器件应用有关。
