Work

Unconventional melting behavior and dynamical properties of Cr 2 Ge 2 Te 6 phase‐change material

Year: 2026

Type: article

Abstract: Cr 2 Ge 2 Te 6 (CrGT) is a promising candidate for phase‐change memory applications. In amorphous CrGT, Cr atoms form non‐defective octahedral motifs with Te atoms, and the abundance of octahedra is regarded as the key structural factor in limiting the resistance drift of amorphous CrGT. However, the stage at which these octahedra emerge during melt‐quench amorphization remains unclear. Here, we present ab initio molecular dynamics simulations to model melting of layered crystalline CrGT and to investigate the dynamic properties of liquid CrGT. Upon heating, Ge atoms are observed to leave their lattice sites earlier than Cr and Te atoms, diffusing into the van der Waals gap and initiating the collapse of the layered structure. The Cr[Te 6 ] octahedra are more robust, maintaining their structural pattern up to 1400 K despite continuous rupture and re‐formation of Cr–Te bonds. In supercooled liquid CrGT at 550 K, most Cr‐centered octahedra remain intact, enabling rapid crystallization of CrGT in memory devices. Together, these results provide a local‐motif‐based chemical picture in which robust transition‐metal chalcogenide octahedra preserve structural fragments, whereas more labile Ge‐centered units accommodate phase switching.

Source: InfoScience.

DOI: 10.1002/inc2.70034

Authors: Suyang Sun, Yihui Jiang, Riccardo Mazzarello, Wei Zhang

Institutions: Henan Academy of Sciences, Xi'an Jiaotong University, Sapienza University of Rome

Language: English

Topic: Phase-change materials and chalcogenides

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,660

Funders: National Natural Science Foundation of China, Xi’an Jiaotong University, International Joint Laboratory for MicroNano Manufacturing and Measurement Technologies