.png){kind=icon}
.png){kind=icon}
Return
Unveiling the crystallization behavior of amorphous Te driven by pressure
.png){kind=icon}
PRE
AI
C
C
C
Q
S
S
S
M
X
DOI：10.1039/d6tc00250a.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
Tellurium (Te) has attracted a lot of research interest due to its significant potential in electronic storage technology, yet its structural evolution under extreme pressure remains incompletely understood. Here, using state-of-the-art ab initio molecular dynamics simulations, we have investigated the crystallization behavior of amorphous Te under controlled compression. The results reveal that amorphous Te transforms into a body-centered cubic (BCC) crystalline phase at a pressure of 31.47 GPa, accompanied by an insulator-metal transition. The crystallization process proceeds through two stages: an initial increase in atomic coordination within both the first and second coordination shells, leading to locally octahedral environments, followed by the incorporation of second-shell atoms into the first shell at higher pressure, driving the formation of the BCC structure. These results provide atomic-scale insight into the pressure-induced crystallization of amorphous Te and are relevant for understanding its behavior in pressure-tunable electronic devices.
Keywords:
PHASE-CHANGE MATERIALS
CRYSTAL-STRUCTURE
MEMORY
DYNAMICS
Journal
IF:
5.1
Papers:
2.0W
Citations:
8.0W
Organization
Cited Papers