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| Hauptseite > Publikationsdatenbank > Metallic evolution of small magnesium clusters > print |
| 001 | 44011 | ||
| 005 | 20180210142656.0 | ||
| 024 | 7 | _ | |2 DOI |a 10.1007/s100530170051 |
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| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Optics |
| 084 | _ | _ | |2 WoS |a Physics, Atomic, Molecular & Chemical |
| 100 | 1 | _ | |a Akola, J. |0 P:(DE-Juel1)VDB6340 |b 0 |u FZJ |
| 245 | _ | _ | |a Metallic evolution of small magnesium clusters |
| 260 | _ | _ | |a Berlin |b Springer |c 2001 |
| 300 | _ | _ | |a 21 |
| 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 European Physical Journal D |x 1434-6060 |0 1984 |v 16 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a Structural and electronic properties of small magnesium clusters (N less than or equal to 13) are studied using a first-principles simulation method in conjunction with the density functional theory and generalized gradient correction approximation for the exchange-correlation energy functional. It is observed that the onset of metallization of magnesium clusters is hard to assign since both the s-p hybridization and the energy gap between the valence and conduction bands do not evolve rapidly towards the known bulk properties. Instead these quantities show a slow and nonmonotonic evolution. |
| 536 | _ | _ | |a Elektronische Struktur von Festkörpern, Oberflächen und Schichtsystemen |c 23.20.0 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK52 |x 0 |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |a J |2 WoSType |
| 700 | 1 | _ | |a Rytkönen, K. |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Manninen, M. |0 P:(DE-HGF)0 |b 2 |
| 773 | _ | _ | |a 10.1007/s100530170051 |g Vol. 16, p. 21 |p 21 |q 16<21 |0 PERI:(DE-600)1459071-2 |t The @European physical journal / D |v 16 |y 2001 |x 1434-6060 |
| 909 | C | O | |o oai:juser.fz-juelich.de:44011 |p VDB |
| 913 | 1 | _ | |k 23.20.0 |v Elektronische Struktur von Festkörpern, Oberflächen und Schichtsystemen |l Festkörperforschung |b Struktur der Materie und Materialforschung |0 G:(DE-Juel1)FUEK52 |x 0 |
| 914 | 1 | _ | |y 2001 |
| 915 | _ | _ | |0 StatID:(DE-HGF)0010 |a JCR/ISI refereed |
| 920 | 1 | _ | |k IFF-TH-I |l Theorie I |d 31.12.2006 |g IFF |0 I:(DE-Juel1)VDB30 |x 0 |
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| 980 | _ | _ | |a UNRESTRICTED |
| 981 | _ | _ | |a I:(DE-Juel1)PGI-1-20110106 |
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