Abstract

Phase-change materials have been intensively investigated with various materials and methods. Despite of the efforts, the way to design the novel materials is not reported nearly. In this paper, we have provided a computational high throughput screening method to select a suitable doping element incorporated into a new phase change material for low power consumption and very fast switching phase change random access memory (PRAM). In this method, we have calculated density function theory and simulated ab initio molecular behavior of various dopants in In3SbTe2 (IST) phase change material. As a result, the PRAM fabricated with Bi or Y doped IST shows faster set/reset operation than undoped IST and GeSbTe since Bi and Y offer lower power consumption and faster phase transition mechanism at lower melting temperature due to the lower formation energy and larger distortion angle.

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