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Title: Study of Pb-doped Ge{sub 2}Sb{sub 2}Te{sub 5} in crystalline phase using first principle calculations

To improve the phase change characteristics of Ge{sub 2}Sb{sub 2}Te{sub 5} (GST), doping is used as one of the effective methods. 4.4 atomic % of Pb doped GST has been studied using first principle calculations. No effect of doping on Te-Ge and Te-Sb bond length has been observed, but the Te-Te bond gets shrink with Pb doping. Due to which the Sb{sub 2}Te{sub 3} segregates as a second phase, with increased doping concentration of Pb in GST alloy. Using such type of calculation, we can calculate the desirable concentration of dopant atoms to prepare the desired material. We can control any segregation in required material with pre-theoretical calculations. The metallic nature of Pd doped GST has been discussed with band structure plots. The metallic character of alloys calculated as in this paper will be helpful to understand the tuning of conductivity of phase change materials, which helps to enhance the phase change properties.
Authors:
;  [1] ; ;  [2]
  1. Department of Physics, Center of Advanced Study in Physics, Panjab University, Chandigarh (India)
  2. Department of UIET, Panjab University SSG Regional Centre, Hoshiarpur, Panjab (India)
Publication Date:
OSTI Identifier:
22488776
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1675; Journal Issue: 1; Conference: AMRP-2015: 4. national conference on advanced materials and radiation physics, Longowal (India), 13-14 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; ABUNDANCE; ANTIMONY ALLOYS; ANTIMONY TELLURIDES; BOND LENGTHS; CONCENTRATION RATIO; DOPED MATERIALS; GERMANIUM ALLOYS; LEAD ALLOYS; PALLADIUM; PHASE CHANGE MATERIALS; TELLURIUM ALLOYS