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| Hauptseite > Publikationsdatenbank > Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change material Ge2Sb2Te5 > print |
| Hauptseite > Publikationsdatenbank > Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change material Ge2Sb2Te5 > print |
| 001 | 5915 | ||
| 005 | 20230426083012.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.80.020201 |2 DOI |
| 024 | 7 | _ | |a WOS:000268617500002 |2 WOS |
| 024 | 7 | _ | |a 2128/11029 |2 Handle |
| 037 | _ | _ | |a PreJuSER-5915 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |a Akola, J. |b 0 |0 P:(DE-HGF)0 |
| 245 | _ | _ | |a Experimentally constrained density-functional calculations of the amorphous structure of the prototypical phase-change material Ge2Sb2Te5 |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2009 |
| 300 | _ | _ | |a 020201 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Review B |x 1098-0121 |0 4919 |y 2 |v 80 |
| 500 | _ | _ | |a The experimental work was supported by the Japan Science and Technology Agency, and the calculations were performed on IBM BlueGene/L, BlueGene/P, and p690 computers in the Forschungszentrum Julich with grants from the FZ Julich and the John von Neumann Institute for Computing. R.O.J. thanks SPring-8 and its staff for hospitality and support during a research visit. |
| 520 | _ | _ | |a Phase change materials involve the rapid and reversible transition between nanoscale amorphous (a-) and crystalline (c-) spots in a polycrystalline film and play major roles in the multimedia world, including nonvolatile computer memory. The materials of choice are alloys of Ge, Sb, and Te, e.g., Ge2Sb2Te5 (GST) in digital versatile disk-random access memory. There has been much speculation about the structure of a- GST, but no model has yet received general acceptance. Here we optimize the structure by combining the results of density-functional calculations with high-energy x-ray diffraction data and x-ray photoelectron spectroscopy (XPS) measurements of the electronic densities of states to determine the structure. The structure agrees very well with available experimental data, including the differences in the XPS data between the amorphous and crystalline structures. |
| 536 | _ | _ | |a Kondensierte Materie |c P54 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK414 |x 0 |
| 542 | _ | _ | |i 2009-07-07 |2 Crossref |u http://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |a J |2 WoSType |
| 653 | 2 | 0 | |2 Author |a amorphous state |
| 653 | 2 | 0 | |2 Author |a antimony alloys |
| 653 | 2 | 0 | |2 Author |a crystallisation |
| 653 | 2 | 0 | |2 Author |a density functional theory |
| 653 | 2 | 0 | |2 Author |a electronic density of states |
| 653 | 2 | 0 | |2 Author |a germanium alloys |
| 653 | 2 | 0 | |2 Author |a metallic thin films |
| 653 | 2 | 0 | |2 Author |a phase change materials |
| 653 | 2 | 0 | |2 Author |a random-access storage |
| 653 | 2 | 0 | |2 Author |a tellurium alloys |
| 653 | 2 | 0 | |2 Author |a X-ray diffraction |
| 653 | 2 | 0 | |2 Author |a X-ray photoelectron spectra |
| 700 | 1 | _ | |a Jones, R. O. |b 1 |u FZJ |0 P:(DE-Juel1)VDB60912 |
| 773 | 1 | 8 | |a 10.1103/physrevb.80.020201 |b American Physical Society (APS) |d 2009-07-07 |n 2 |p 020201 |3 journal-article |2 Crossref |t Physical Review B |v 80 |y 2009 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.80.020201 |g Vol. 80, p. 020201 |p 020201 |n 2 |q 80<020201 |0 PERI:(DE-600)2844160-6 |t Physical review / B |v 80 |y 2009 |x 1098-0121 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.80.020201 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/5915/files/PhysRevB.80.020201.pdf |y OpenAccess |
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| 913 | 1 | _ | |k P54 |v Kondensierte Materie |l Kondensierte Materie |b Materie |z entfällt bis 2009 |0 G:(DE-Juel1)FUEK414 |x 0 |
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| 920 | 1 | _ | |k IFF-1 |l Quanten-Theorie der Materialien |d 31.12.2010 |g IFF |0 I:(DE-Juel1)VDB781 |x 0 |
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