First-principles study of structural and optical properties contrast for liquid (GeTe)x(x = 1,2,3)-Sb2Te3 compounds
Source abstract
Abstract
Abstract Ge-Sb-Te compounds played an important role in present nonvolatile optical and electrical storages. In our studies, First-principles molecular dynamic methods were used to simulate the amorphization processes of (GeTe)x(x = 1,2,3)-Sb2Te3 compounds and the liquid states which consisted of crystalline and amorphous phase were obtained, then the effects of different ratio of (GeTe) on the properties of Ge-Sb-Te compounds were studied. The calculated results of pair correlation function, coordination number and compositional disorder number showed that Ge2Sb2Te5 has better stability among the three liquids. By analysis of the complex dielectric function, absorption and conductivity, Ge2Sb2Te5 has lower turn-on voltage and lower RESET current compared with Ge1Sb2Te4 and Ge3Sb2Te6. The present results are helpful to understand the multi- level data storage capabilities based on the liquid states.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Phase-change materials and chalcogenides · Chalcogenide Semiconductor Thin Films · Glass properties and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (38)
Show source-provided references
1. Oxygen incorporation into GST phase-change memory matrix10.1016/j.apsusc.2015.01.203 ↗
2. Calculation of threshold voltage for phase-change memory device10.1016/j.jnoncrysol.2007.04.028 ↗
3. Erratum: corrigendum: metal - insulator transition driven by vacancy ordering in GeSbTe phase change materials10.1038/srep31679 ↗
4. Local atomic arrangements and lattice distortions in layered Ge- Sb-Te crystal structures10.1038/srep26724 ↗
5. Rapid-phase transitions of GeTe-Sb2Te3 pseudobinary amorphous thin films for an optical disk memory10.1063/1.348620 ↗
6. Amorphous and crystallized Ge–Sb–Te thin films deposited by pulsed laser: Local structure using Raman scattering spectroscopy10.1016/j.matchemphys.2012.08.024 ↗
7. Understanding the phase-change mechanism of rewritable optical media10.1038/nmat1215 ↗
8. Durability of rewritable phase-change GeXSbYTe1− X− Y memory devices10.1007/s12043-013-0532-5 ↗
9. Ab initio study of the structure and chemical bonding of stable Ge3Sb2Te10.1039/b920990e ↗
10. Structure and self-diffusion of liquid germanium studied by a first-principles molecular-dynamics simulation10.1016/S0022-3093(02)01686-1 ↗
11. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
12. Role of electronic excitation in the amorphization of Ge-Sb-Te Alloys10.1103/PhysRevLett.107.015501 ↗
13. First-principles investigations of electronic and mechanical properties for stable Ge2Sb2Te5 with van der Waals corrections10.1016/j.commatsci.2013.09.026 ↗
14. Pair-distribution function and its coupling-constant average for the spin-polarized electron gas10.1103/PhysRevB.46.12947 ↗
15. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
16. Structure of laser-crystallized Ge2Sb2+ xTe5 sputtered thin films for use in optical memory10.1063/1.1314323 ↗
17. Erasable phase-change optical materials10.1557/S0883769400036368 ↗
18. Energy fluctuations induced by the Nosé thermostat10.1103/PhysRevB.46.13756 ↗
19. Molecular simulation for thermoelectric properties of c-axis oriented hexagonal GeSbTe model clusters10.1016/j.matdes.2015.10.061 ↗
20. First-principles insights into efficient band gap engineering of the blue phosphorus/g-C3N bilayer heterostructure via an external vertical strain10.1016/j.apsusc.2019.02.044 ↗
21. Investigation on tensile behaviors of diamond-like carbon films10.1016/j.jnoncrysol.2016.03.025 ↗
22. First-principles simulations of local structure contrast for liquid Ge1Sb2Te4, Ge2Sb2Te5, and Ge4Sb1Te5 alloys10.1016/j.commatsci.2012.04.044 ↗
23. Microscopic origin of the fast crystallization ability of Ge–Sb–Te phase-change memory materials10.1038/nmat2157 ↗
24. Structural phase transitions on the nanoscale: The crucial pattern in the phase-change materials Ge2Sb2Te5 and GeTe10.1103/PhysRevB.76.235201 ↗
25. Understanding the crystallization behavior of as-deposited Ti–Sb–Te alloys through real-time radial distribution functions10.1039/C4NR07408D ↗
26. Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
27. Ab initio molecular dynamics simulation of liquid CdTe and GaAs: semiconducting versus metallic behavior10.1103/PhysRevLett.81.4959 ↗
28. Temperature-induced density anomaly in Te-rich liquid germanium tellurides: p versus sp3 Bonding10.1103/PhysRevLett.95.267801 ↗
29. New structural picture of the Ge2Sb2Te5 phase-change alloy10.1103/PhysRevLett.106.025501 ↗
30. Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change material Ge2Sb2Te5
31. Amorphous structure melt-quenched from defective Ge2Sb2Te510.1007/s10853-012-6607-8 ↗
32. Nature of atomic bonding and atomic structure in the phase-change Ge2Sb2Te5 glass10.1103/PhysRevLett.103.195502 ↗
33. Intrinsic evolutions of dielectric function and electronic transition in tungsten doping Ge2Sb2Te5 phase change films discovered by ellipsometry at elevated temperatures10.1063/1.4907647 ↗
34. Linearized augmented plane wave band structure calculations and dielectric function of layered TlGaSe210.1143/JJAP.47.8182 ↗
35. Large-angle mid-infrared absorption switch enabled by polarization-independent GST metasurfaces10.1016/j.matlet.2018.10.136 ↗
36. Thermal conductivity of phase-change material Ge2Sb2Te510.1063/1.2359354 ↗
37. Anomalous optical conductivity in disordered condensed matter10.1016/j.jnoncrysol.2011.09.042 ↗
38. Effect of Si doping on the structure and optical properties of Ge2Sb2Te5 studied by ab initio calculations10.1016/j.commatsci.2019.05.019 ↗