High-Throughput Screening for Phase-Change Memory Materials |
| |
Authors: | Yu-Ting Liu Xian-Bin Li Hui Zheng Nian-Ke Chen Xue-Peng Wang Xu-Lin Zhang Hong-Bo Sun Shengbai Zhang |
| |
Affiliation: | 1. State Key Laboratory of Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun, 130012 China;2. Department of Nano Engineering, University of California San Diego, San Diego, CA, 92093-0448 USA;3. Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY, 12180 USA |
| |
Abstract: | Phase change memory (PCM) is an emerging non-volatile data storage technology concerned by the semiconductor industry. To improve the performances, previous efforts have mainly focused on partially replacing or doping elements in the flagship Ge-Sb-Te (GST) alloy based on experimental “trial-and-error” methods. Here, the current largest scale PCM materials searching is reported, starting with 124 515 candidate materials, using a rational high-throughput screening strategy consisting of criteria related to PCM characteristics. In the results, there are 158 candidates screened for PCM materials, of which ≈68% are not employed. By further analyses, including cohesive energy, bond angle analyses, and Born effective charge, there are 52 materials with properties similar to the GST system, including Ge2Bi2Te5, GeAs4Te7, GeAs2Te4, so on and other candidates that have not been reported, such as TlBiTe2, TlSbTe2, CdPb3Se4, etc. Compared with GST, materials with close cohesive energy include AgBiTe2, TlSbTe2, As2Te3, TlBiTe2, etc., indicating possible low power consumption. Through further melt-quenching molecular dynamic calculation and structural/electronic analyses, Ge2Bi2Te5, CdPb3Se4, MnBi2Te4, and TlBiTe2 are found suitable for optical/electrical PCM applications, which further verifies the effectiveness of this strategy. The present study will accelerate the exploration and development of advanced PCM materials for current and future big-data applications. |
| |
Keywords: | high-throughput material screening non-volatile memory phase change memory materials |
|
|