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作者:

Sun, Teng (Sun, Teng.) | Liu, Furong (Liu, Furong.) (学者:刘富荣) | Guo, Jicheng (Guo, Jicheng.) | Han, Gang (Han, Gang.) | Zhang, Yongzhi (Zhang, Yongzhi.)

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EI SCIE PubMed

摘要:

Reversible phase-change behaviors of Ge–Sb–Te based superlattices (GST-SL) were studied by ab initio molecular dynamics (AIMD) simulations based on three models containing Ge/Sb intermixing, namely the Petrov-mix, Ferro-mix, and Kooi-mix models. The flipping behavior of Sb atoms was found in all the three GST-SL models in the melting process. Among them the Kooi-mix model exhibited the best stability, and the analyses of bond length distribution and electron localization function provided a better explanation on the phase transition of GST-SL. Finally, we proposed a fast switching model for GST-SL based on Sb flipping. © 2021 by the authors. Li-censee MDPI, Basel, Switzerland.

关键词:

Bond length Molecular dynamics

作者机构:

  • [ 1 ] [Sun, Teng]Key Laboratory of Trans-Scale Laser Manufacturing Technology, Beijing University of Technology, Ministry of Education, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 2 ] [Sun, Teng]Beijing Engineering Research Center of Laser Technology, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 3 ] [Sun, Teng]Institute of Laser Engineering, Faculty of Materials and Manufacturing, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 4 ] [Liu, Furong]Key Laboratory of Trans-Scale Laser Manufacturing Technology, Beijing University of Technology, Ministry of Education, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 5 ] [Liu, Furong]Beijing Engineering Research Center of Laser Technology, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 6 ] [Liu, Furong]Institute of Laser Engineering, Faculty of Materials and Manufacturing, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 7 ] [Guo, Jicheng]Key Laboratory of Trans-Scale Laser Manufacturing Technology, Beijing University of Technology, Ministry of Education, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 8 ] [Guo, Jicheng]Beijing Engineering Research Center of Laser Technology, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 9 ] [Guo, Jicheng]Institute of Laser Engineering, Faculty of Materials and Manufacturing, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 10 ] [Han, Gang]Key Laboratory of Trans-Scale Laser Manufacturing Technology, Beijing University of Technology, Ministry of Education, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 11 ] [Han, Gang]Beijing Engineering Research Center of Laser Technology, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 12 ] [Han, Gang]Institute of Laser Engineering, Faculty of Materials and Manufacturing, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 13 ] [Zhang, Yongzhi]Key Laboratory of Trans-Scale Laser Manufacturing Technology, Beijing University of Technology, Ministry of Education, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 14 ] [Zhang, Yongzhi]Beijing Engineering Research Center of Laser Technology, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China
  • [ 15 ] [Zhang, Yongzhi]Institute of Laser Engineering, Faculty of Materials and Manufacturing, Beijing University of Technology, 100 Ping Leyuan, Chaoyang District, Beijing; 100124, China

通讯作者信息:

  • 刘富荣

    [liu, furong]beijing engineering research center of laser technology, beijing university of technology, 100 ping leyuan, chaoyang district, beijing; 100124, china;;[liu, furong]key laboratory of trans-scale laser manufacturing technology, beijing university of technology, ministry of education, 100 ping leyuan, chaoyang district, beijing; 100124, china;;[liu, furong]institute of laser engineering, faculty of materials and manufacturing, beijing university of technology, 100 ping leyuan, chaoyang district, beijing; 100124, china

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来源 :

Materials

年份: 2021

期: 2

卷: 14

页码: 1-8

3 . 4 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

ESI高被引阀值:8

被引次数:

WoS核心集被引频次: 0

SCOPUS被引频次: 1

ESI高被引论文在榜: 0 展开所有

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