Strong atom capture ability and pinning effect by doping an element with large electronegativity difference in Sb2Te3 phase change material

Abstract

The ultimate goal of memory researchers and developers is to devise a universal memory to replace all memories in complex hierarchies of memory systems. Phase change memory is considered by the International Semiconductor Industry Association as the most likely emerging storage technology to achieve this ambitious goal due to its excellent performance. However, the relatively slow operation speed and poor cycle endurance are stumbling blocks for this purpose. Here, we propose a new doping strategy to construct stable bonding by introducing atoms with large electronegativity differences from the matrix Te atoms enhancing the capture ability and the pinning effect to Te atoms, which facilitates fast nucleation and suppresses migration of Te atoms to achieve significant performance improvement. Using ab initio molecular dynamics simulations, we explore and compare the atomic structures, chemical bonding, and dynamics properties of Hf doped Sb2Te3 (HfST), La doped Sb2Te3 (LaST), Rb doped Sb2Te3 (RbST) and Sr doped Sb2Te3 (SrST). In the XST (X refers to Hf, Rb, La and Sr atoms) systems, the increase of the more stable ring structure fluctuation and the stronger atom capture capability of rings enable more and faster formation of nuclei during crystallization. Higher Peierls-like distortions suggest better thermal stability. The motility of Te atoms is suppressed due to the pinning effect. High coordination of atoms and the concentration reduction of the lone-pair electron and void enable small density difference. Our results show that fast universal memory with good endurance can be achieved by the construction of strong bonding by doping atoms with large electronegativity differences, providing an important guidance for experiments and industries.