title: Local structure of liquid Ge(1)Sb(2)Te(4) for rewritable data storage use.
abstract: Phase-change materials based on chalcogenide alloys have been widely used for optical data storage and are promising materials for nonvolatile electrical memory use. However, the mechanism behind the utilization is unclear as yet. Since the rewritable data storage involved an extremely fast laser melt-quenched process for chalcogenide alloys, the liquid structure of which is one key to investigating the mechanism of the fast reversible phase transition and hence rewritable data storage, here by means of ab initio molecular dynamics we have studied the local structure of liquid Ge(1)Sb(2)Te(4). The results show that the liquid structure gives a picture of most Sb atoms being octahedrally coordinated, and the coexistence of tetrahedral and fivefold coordination at octahedral sites for Ge atoms, while Te atoms are essentially fourfold and threefold coordinated at octahedral sites, as characterized by partial pair correlation functions and bond angle distributions. The local structure of liquid Ge(1)Sb(2)Te(4) generally resembles that of the crystalline form, except for the much lower coordination number. It may be this unique liquid structure that results in the fast and reversible phase transition between crystalline and amorphous states.
authors.affiliation: Department of Materials Science and Engineering, College of Materials, Xiamen University, 361005, People's Republic of China.
authors.forename: Zhimei
authors.initials: Z
authors.lastname: Sun
authors.forename: Jian
authors.initials: J
authors.lastname: Zhou
authors.forename: Andreas
authors.initials: A
authors.lastname: Blomqvist
authors.forename: Lihua
authors.initials: L
authors.lastname: Xu
authors.forename: Rajeev
authors.initials: R
authors.lastname: Ahuja