Germanium-rich GeSbTe alloys have recently emerged as promising materials for embedded phase change memories of interest for applications in the automotive sector thanks to the high crystallization temperature of their amorphous phase. Crystallization of Ge-rich GeSbTe alloys can lead to phase separation with segregation of crystalline Ge. The inhomogeneity of the resulting system brings, however, some drawbacks such as the drift of the electrical resistance with time of the crystalline phase. To mitigate these effects, a better understanding of the decomposition process is needed. In this work, we performed density functional calculations on possible decomposition pathways of the Ge5Sb2Te3 alloy as an example of Ge-rich GeSbTe alloy on the Ge-Sb2Te3 pseudobinary line. The energetics of the transformation into crystalline Ge and a less Ge-rich alloy is investigated as well as the structural, electronic, and vibrational properties of some possible decomposition products such as Ge3Sb2Te3 or Ge2Sb2Te1, among several others, in both the crystalline and amorphous phases.

Abou El Kheir, O., Dragoni, D., Bernasconi, M. (2021). Density functional simulations of decomposition pathways of Ge-rich GeSbTe alloys for phase change memories. PHYSICAL REVIEW MATERIALS, 5(9) [10.1103/PhysRevMaterials.5.095004].

Density functional simulations of decomposition pathways of Ge-rich GeSbTe alloys for phase change memories

Abou El Kheir O.;Dragoni D.;Bernasconi M.
2021

Abstract

Germanium-rich GeSbTe alloys have recently emerged as promising materials for embedded phase change memories of interest for applications in the automotive sector thanks to the high crystallization temperature of their amorphous phase. Crystallization of Ge-rich GeSbTe alloys can lead to phase separation with segregation of crystalline Ge. The inhomogeneity of the resulting system brings, however, some drawbacks such as the drift of the electrical resistance with time of the crystalline phase. To mitigate these effects, a better understanding of the decomposition process is needed. In this work, we performed density functional calculations on possible decomposition pathways of the Ge5Sb2Te3 alloy as an example of Ge-rich GeSbTe alloy on the Ge-Sb2Te3 pseudobinary line. The energetics of the transformation into crystalline Ge and a less Ge-rich alloy is investigated as well as the structural, electronic, and vibrational properties of some possible decomposition products such as Ge3Sb2Te3 or Ge2Sb2Te1, among several others, in both the crystalline and amorphous phases.
Articolo in rivista - Articolo scientifico
phase change memories; density functional theory
English
15-set-2021
2021
5
9
095004
partially_open
Abou El Kheir, O., Dragoni, D., Bernasconi, M. (2021). Density functional simulations of decomposition pathways of Ge-rich GeSbTe alloys for phase change memories. PHYSICAL REVIEW MATERIALS, 5(9) [10.1103/PhysRevMaterials.5.095004].
File in questo prodotto:
File Dimensione Formato  
Abou El Kheir-2021-Phys Rev Mater-AAM.pdf

accesso aperto

Descrizione: Article
Tipologia di allegato: Author’s Accepted Manuscript, AAM (Post-print)
Licenza: Altro
Dimensione 1.27 MB
Formato Adobe PDF
1.27 MB Adobe PDF Visualizza/Apri
Abou El Kheir-2021-Phys Rev Mater-AAM.pdf

accesso aperto

Descrizione: Supplemental Material
Tipologia di allegato: Author’s Accepted Manuscript, AAM (Post-print)
Licenza: Altro
Dimensione 2.05 MB
Formato Adobe PDF
2.05 MB Adobe PDF Visualizza/Apri
Abou El Kheir-2021-Phys Rev Mater-VoR.pdf

Solo gestori archivio

Descrizione: articolo
Tipologia di allegato: Publisher’s Version (Version of Record, VoR)
Licenza: Tutti i diritti riservati
Dimensione 2.6 MB
Formato Adobe PDF
2.6 MB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/333006
Citazioni
  • Scopus 9
  • ???jsp.display-item.citation.isi??? 8
Social impact