Sn2Se3: A conducting crystalline mixed valent phase change memory compound
- Jilin Univ., Changchun (China). College of Materials Science and Engineering. Key Lab. of Automobile Materials of MOE; Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy
- Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy
- Jilin Univ., Changchun (China). College of Materials Science and Engineering. Key Lab. of Automobile Materials of MOE
Thin film Sn2Se3 is a promising new phase change memory material with a very high resistance contrast between insulating amorphous and conducting crystalline phases. In this paper, we identify the structure of the Sn2Se3 crystalline phase using ab initio evolutionary structure search and report its properties. We find a structure based on Sn-Se ribbons with clear disproportionation of Sn into Sn(II) and Sn(IV) sites, similar to Sn2S3. The energy is only 9 meV/atom above the tie line between SnSe and SnSe2. Sn charge disproportionation is only marginally favored in this selenide, in contrast to sulfides. This leads to a semimetallic rather than semiconducting behavior. Finally, these findings, marginal stability of the crystalline phase and conducting character and close competition of disproportionated and non-disproportionated structures, are important for understanding the behavior of Sn2Se3 as a phase change memory material, specifically the fast low energy, the low temperature switching, and the high resistance contrast.
- Research Organization:
- Univ. of Missouri, Columbia, MO (United States); Jilin Univ., Changchun (China)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); China Scholarship Council (CSC)
- Grant/Contract Number:
- SC0014607
- OSTI ID:
- 1473914
- Alternate ID(s):
- OSTI ID: 1366566
- Journal Information:
- Journal of Applied Physics, Vol. 121, Issue 22; ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Similar Records
Synthesis and characterization of Ba{sub 3}Bi{sub 6.67}Se{sub 13} and its filled variants Ba{sub 3}Bi{sub 6}PbSe{sub 13} and Ba{sub 3}Bi{sub 6}SnSe{sub 13}
([M(NH{sub 3}){sub 6}][Ag{sub 4}M{sub 4}Sn{sub 3}Se{sub 13}]){sub ∞} (M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals