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| 001 | 43930 | ||
| 005 | 20230426083054.0 | ||
| 017 | _ | _ | |a This version is available at the following Publisher URL: http://prb.aps.org |
| 024 | 7 | _ | |a 10.1103/PhysRevB.70.235423 |2 DOI |
| 024 | 7 | _ | |a WOS:000226112100148 |2 WOS |
| 024 | 7 | _ | |a 2128/1404 |2 Handle |
| 037 | _ | _ | |a PreJuSER-43930 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |a Baud, S. |b 0 |0 P:(DE-HGF)0 |
| 245 | _ | _ | |a Comparative study of ab initio and tight-binding electronic structure calculations applied to platinum surfaces |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2004 |
| 300 | _ | _ | |a 235423 |
| 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 |
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| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Review B |x 1098-0121 |0 4919 |v 70 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a We have applied the full-potential linearized augmented plane-wave (FLAPW) ab initio method and the spd tight-binding (TB) model to the calculations of the surface energies E-S(hkl) and relaxations of the three low-index [(111), (100), (110)] surfaces of platinum. The two methods give similar results, and in particular the anisotropy ratios E-S(110)/E-S(111) and E-S(100)/E-S(111) are very close. The calculation of surface energy of reconstructed (1x2) Pt(110) confirms that this face undergoes a missing-row reconstruction and the corresponding structural parameters agree well with experiment. The local densities of states (LDOS) calculated by each of the methods on the flat surfaces are almost the same. We have also investigated the 6(111)x((1) over bar 11) vicinal surface and found a similar agreement for the LDOS. |
| 536 | _ | _ | |a Kondensierte Materie |c M02 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK242 |x 0 |
| 542 | _ | _ | |i 2004-12-28 |2 Crossref |u http://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to Web of Science |
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| 700 | 1 | _ | |a Ramseyer, C. |b 1 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Bihlmayer, G. |b 2 |u FZJ |0 P:(DE-Juel1)130545 |
| 700 | 1 | _ | |a Blügel, S. |b 3 |u FZJ |0 P:(DE-Juel1)130548 |
| 700 | 1 | _ | |a Barreteau, B. R. |b 4 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Desjonquères, M. C. |b 5 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Spanjaard, D. |b 6 |0 P:(DE-HGF)0 |
| 700 | 1 | _ | |a Bernstein, N. |b 7 |0 P:(DE-HGF)0 |
| 773 | 1 | 8 | |a 10.1103/physrevb.70.235423 |b American Physical Society (APS) |d 2004-12-28 |n 23 |p 235423 |3 journal-article |2 Crossref |t Physical Review B |v 70 |y 2004 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.70.235423 |g Vol. 70, p. 235423 |p 235423 |n 23 |q 70<235423 |0 PERI:(DE-600)2844160-6 |t Physical review / B |v 70 |y 2004 |x 1098-0121 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevB.70.235423 |u http://hdl.handle.net/2128/1404 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/43930/files/61966.pdf |y OpenAccess |
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| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/43930/files/61966.jpg?subformat=icon-180 |x icon-180 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/43930/files/61966.jpg?subformat=icon-640 |x icon-640 |y OpenAccess |
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| 915 | _ | _ | |0 StatID:(DE-HGF)0010 |a JCR/ISI refereed |
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| 999 | C | 5 | |a 10.1063/1.332209 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(77)90442-3 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 F. R. Boer |y 1988 |2 Crossref |t Cohesion in Metals |o F. R. Boer Cohesion in Metals 1988 |
| 999 | C | 5 | |a 10.1103/PhysRevB.29.6443 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.47.9751 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1051/jphys:019700031011-120105500 |9 -- missing cx lookup -- |1 F. Ducastelle |p 1055 - |2 Crossref |t J. Phys. (Paris) |v 31 |y 1970 |
| 999 | C | 5 | |a 10.1103/PhysRevB.35.7423 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(96)00816-3 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1080/09500839008206493 |9 -- missing cx lookup -- |1 A. P. Sutton |p 139 - |2 Crossref |t Philos. Mag. Lett. |v 61 |y 1984 |
| 999 | C | 5 | |a 10.1080/01418618408244210 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 M. C. Desjonquères |y 1995 |2 Crossref |t Concepts in Surface Physics |o M. C. Desjonquères Concepts in Surface Physics 1995 |
| 999 | C | 5 | |a 10.1016/0039-6028(75)90187-9 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.53.4083 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.54.4519 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.46.4816 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.46.7157 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.69.2296 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.52.16 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0039-6028(98)00363-X |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.30.561 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.31.1168 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.61.2254 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.64.045404 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.61.16154 |9 -- missing cx lookup -- |1 F. Picaud |p 16 - |2 Crossref |t Phys. Rev. B |v 61 |y 2000 |
| 999 | C | 5 | |a 10.1016/0039-6028(72)90011-8 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.24.864 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.26.4571 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/0022-3719/5/13/012 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.46.6671 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.13.5188 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1063/1.1747632 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.66.075212 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.10.4988 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 N. W. Ashcroft |y 1976 |2 Crossref |t Solid State Physics |o N. W. Ashcroft Solid State Physics 1976 |
| 999 | C | 5 | |a 10.1103/PhysRevA.48.R18 |9 -- missing cx lookup -- |1 B. Ozoliņŝ |p 18 - |2 Crossref |t Phys. Rev. B |v 48 |y 1993 |
| 999 | C | 5 | |a 10.1103/PhysRevB.51.4105 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.57.1881 |9 -- missing cx lookup -- |1 G. Boisvert |p 1881 - |2 Crossref |t Phys. Rev. B |v 57 |y 1997 |
| 999 | C | 5 | |a 10.1103/PhysRevLett.15.491 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 P. R. Norton |y 1979 |2 Crossref |o P. R. Norton 1979 |
| 999 | C | 5 | |a 10.1016/S0039-6028(02)01547-9 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1209/epl/i2002-00413-7 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/0022-3719/12/15/007 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.9.1341 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1149/1.2426131 |1 F. Herman |2 Crossref |9 -- missing cx lookup -- |y 1963 |
| 999 | C | 5 | |a 10.1139/p80-159 |9 -- missing cx lookup -- |1 S. H. Vosko |p 1200 - |2 Crossref |t Can. J. Phys. |v 58 |y 1980 |
| 999 | C | 5 | |a 10.1103/PhysRevB.23.5048 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.46.6303 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1002/(SICI)1097-461X(1999)75:4/5<889::AID-QUA54>3.0.CO;2-8 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.43.8829 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0039-6028(01)01488-1 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(94)00703-9 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(88)90406-2 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.38.7275 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 S. Homlberg |y 1991 |2 Crossref |o S. Homlberg 1991 |
| 999 | C | 5 | |a 10.1016/S0039-6028(97)00079-4 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(84)90485-0 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(85)90813-1 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0039-6028(87)81038-5 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(86)90678-3 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.59.1673 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0039-6028(99)00184-3 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0039-6028(02)01156-1 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0927-0256(00)00014-8 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.56.2175 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.28.6758 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.39.1940 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(90)90519-E |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0039-6028(95)00758-X |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.12.1257 |9 -- missing cx lookup -- |2 Crossref |
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