Gast ::
| Hauptseite > Publikationsdatenbank > Structure of amorphous Ag/Ge/S alloys: experimentally constrained density functional study > print |
| Hauptseite > Publikationsdatenbank > Structure of amorphous Ag/Ge/S alloys: experimentally constrained density functional study > print |
| 001 | 276212 | ||
| 005 | 20210129220819.0 | ||
| 024 | 7 | _ | |2 doi |a 10.1088/0953-8984/27/48/485304 |
| 024 | 7 | _ | |2 ISSN |a 0953-8984 |
| 024 | 7 | _ | |2 ISSN |a 1361-648X |
| 024 | 7 | _ | |2 WOS |a WOS:000365346900006 |
| 037 | _ | _ | |a FZJ-2015-06677 |
| 041 | _ | _ | |a English |
| 082 | _ | _ | |a 530 |
| 100 | 1 | _ | |0 P:(DE-HGF)0 |a Akola, J. |b 0 |e Corresponding author |
| 245 | _ | _ | |a Structure of amorphous Ag/Ge/S alloys: experimentally constrained density functional study |
| 260 | _ | _ | |a Bristol |b IOP Publ. |c 2015 |
| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1448031947_4293 |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 |
| 520 | _ | _ | |a Density functional/molecular dynamics simulations have been performed to determine structural and other properties of amorphous Ag/Ge/S and Ge/S alloys. In the former, the calculations have been combined with experimental data (x-ray and neutron diffraction, extended x-ray absorption fine structure). Ag/Ge/As alloys have high ionic conductivity and are among the most promising candidates for future memristor technology. We find excellent agreement between the experimental results and large-scale (500 atoms) simulations in Ag/Ge/S, and we compare and contrast the structures of Ge/S and Ag/Ge/S. The calculated electronic structures, vibrational densities of states, ionic mobilities, and cavity distributions of the amorphous materials are discussed and compared with data on crystalline phases where available. The high mobility of Ag in solid state electrolyte applications is related to the presence of cavities and can occur via jumps to a neighbouring vacant site. |
| 536 | _ | _ | |0 G:(DE-HGF)POF3-142 |a 142 - Controlling Spin-Based Phenomena (POF3-142) |c POF3-142 |f POF III |x 0 |
| 536 | _ | _ | |0 G:(DE-HGF)POF3-143 |a 143 - Controlling Configuration-Based Phenomena (POF3-143) |c POF3-143 |f POF III |x 1 |
| 588 | _ | _ | |a Dataset connected to CrossRef |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Beuneu, B. |b 1 |
| 700 | 1 | _ | |0 P:(DE-Juel1)130741 |a Jones, R. O. |b 2 |u fzj |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Jóvári, P. |b 3 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Kaban, I. |b 4 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Kolář, J. |b 5 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Voleská, I. |b 6 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Wágner, T. |b 7 |
| 773 | _ | _ | |0 PERI:(DE-600)1472968-4 |a 10.1088/0953-8984/27/48/485304 |g Vol. 27, no. 48, p. 485304 - |n 48 |p 485304 |t Journal of physics / Condensed matter |v 27 |x 1361-648X |y 2015 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/276212/files/pdf.pdf |y Restricted |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/276212/files/pdf.pdf?subformat=pdfa |x pdfa |y Restricted |
| 909 | C | O | |o oai:juser.fz-juelich.de:276212 |p VDB |
| 910 | 1 | _ | |0 I:(DE-588b)5008462-8 |6 P:(DE-Juel1)130741 |a Forschungszentrum Jülich GmbH |b 2 |k FZJ |
| 913 | 1 | _ | |0 G:(DE-HGF)POF3-142 |1 G:(DE-HGF)POF3-140 |2 G:(DE-HGF)POF3-100 |a DE-HGF |l Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT) |v Controlling Spin-Based Phenomena |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |b Energie |
| 913 | 1 | _ | |0 G:(DE-HGF)POF3-143 |1 G:(DE-HGF)POF3-140 |2 G:(DE-HGF)POF3-100 |a DE-HGF |l Future Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT) |v Controlling Configuration-Based Phenomena |x 1 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |b Energie |
| 914 | 1 | _ | |y 2015 |
| 915 | _ | _ | |0 StatID:(DE-HGF)0420 |2 StatID |a Nationallizenz |
| 915 | _ | _ | |0 StatID:(DE-HGF)0430 |2 StatID |a National-Konsortium |
| 915 | _ | _ | |0 StatID:(DE-HGF)0300 |2 StatID |a DBCoverage |b Medline |
| 915 | _ | _ | |0 StatID:(DE-HGF)0310 |2 StatID |a DBCoverage |b NCBI Molecular Biology Database |
| 915 | _ | _ | |0 StatID:(DE-HGF)0100 |2 StatID |a JCR |b J PHYS-CONDENS MAT : 2014 |
| 915 | _ | _ | |0 StatID:(DE-HGF)0200 |2 StatID |a DBCoverage |b SCOPUS |
| 915 | _ | _ | |0 StatID:(DE-HGF)0199 |2 StatID |a DBCoverage |b Thomson Reuters Master Journal List |
| 915 | _ | _ | |0 StatID:(DE-HGF)0110 |2 StatID |a WoS |b Science Citation Index |
| 915 | _ | _ | |0 StatID:(DE-HGF)0150 |2 StatID |a DBCoverage |b Web of Science Core Collection |
| 915 | _ | _ | |0 StatID:(DE-HGF)0111 |2 StatID |a WoS |b Science Citation Index Expanded |
| 915 | _ | _ | |0 StatID:(DE-HGF)1150 |2 StatID |a DBCoverage |b Current Contents - Physical, Chemical and Earth Sciences |
| 915 | _ | _ | |0 StatID:(DE-HGF)9900 |2 StatID |a IF < 5 |
| 920 | 1 | _ | |0 I:(DE-Juel1)IAS-1-20090406 |k IAS-1 |l Quanten-Theorie der Materialien |x 0 |
| 920 | 1 | _ | |0 I:(DE-Juel1)PGI-1-20110106 |k PGI-1 |l Quanten-Theorie der Materialien |x 1 |
| 920 | 1 | _ | |0 I:(DE-82)080009_20140620 |k JARA-FIT |l JARA-FIT |x 2 |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a I:(DE-Juel1)IAS-1-20090406 |
| 980 | _ | _ | |a I:(DE-Juel1)PGI-1-20110106 |
| 980 | _ | _ | |a I:(DE-82)080009_20140620 |
| 980 | _ | _ | |a UNRESTRICTED |
| 981 | _ | _ | |a I:(DE-Juel1)PGI-1-20110106 |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|