Size-induced undercooling and overheating in phase transitions in bare and embedded clusters

作者:Sun CQ*; Shi Y; Li CM; Li S; Yeung TCA
来源:Physical Review B, 2006, 73(7): 075408.
DOI:10.1103/PhysRevB.73.075408

摘要

The correlation between the thermal stability and electroaffinity of a nanosolid has been explored from the perspective of surface and interface bond-order deficiency. It turns out that the coherency of an atom at the grain boundary and the portion of atoms in the skin of a nanosolid dominate the size dependence of critical temperatures (T-C) for phase transitions. The trapping potential well depression at the surface and interface not only shifts the valence density of state positively but also enlarges the electroaffinity that determines the strength of the bond. In particular, bond-nature alteration at the junction interface, or bond-nature evolution with the reduction of atomic coordination of III- or IV-A atoms, dominates the irregular T-C change with the sizes of the embedded or the III- or IV-A bare nanosolids. Atoms in "superficial" or "interfacial" skins play the core role in dictating the size effect on the thermal stability and electroaffinity of a nanosolid whereas atoms in the core interior remain as they are in the bulk.

  • 出版日期2006-2
  • 单位南阳理工学院