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000043930 0247_ $$2DOI$$a10.1103/PhysRevB.70.235423
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000043930 084__ $$2WoS$$aPhysics, Condensed Matter
000043930 1001_ $$0P:(DE-HGF)0$$aBaud, S.$$b0
000043930 245__ $$aComparative study of ab initio and tight-binding electronic structure calculations applied to platinum surfaces
000043930 260__ $$aCollege Park, Md.$$bAPS$$c2004
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000043930 520__ $$aWe 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.
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000043930 7001_ $$0P:(DE-HGF)0$$aRamseyer, C.$$b1
000043930 7001_ $$0P:(DE-Juel1)130545$$aBihlmayer, G.$$b2$$uFZJ
000043930 7001_ $$0P:(DE-Juel1)130548$$aBlügel, S.$$b3$$uFZJ
000043930 7001_ $$0P:(DE-HGF)0$$aBarreteau, B. R.$$b4
000043930 7001_ $$0P:(DE-HGF)0$$aDesjonquères, M. C.$$b5
000043930 7001_ $$0P:(DE-HGF)0$$aSpanjaard, D.$$b6
000043930 7001_ $$0P:(DE-HGF)0$$aBernstein, N.$$b7
000043930 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.70.235423$$bAmerican Physical Society (APS)$$d2004-12-28$$n23$$p235423$$tPhysical Review B$$v70$$x1098-0121$$y2004
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000043930 8567_ $$uhttp://hdl.handle.net/2128/1404$$uhttp://dx.doi.org/10.1103/PhysRevB.70.235423
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000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.332209
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(77)90442-3
000043930 999C5 $$1F. R. Boer$$2Crossref$$oF. R. Boer Cohesion in Metals 1988$$tCohesion in Metals$$y1988
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.29.6443
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.47.9751
000043930 999C5 $$1F. Ducastelle$$2Crossref$$9-- missing cx lookup --$$a10.1051/jphys:019700031011-120105500$$p1055 -$$tJ. Phys. (Paris)$$v31$$y1970
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.35.7423
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(96)00816-3
000043930 999C5 $$1A. P. Sutton$$2Crossref$$9-- missing cx lookup --$$a10.1080/09500839008206493$$p139 -$$tPhilos. Mag. Lett.$$v61$$y1984
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1080/01418618408244210
000043930 999C5 $$1M. C. Desjonquères$$2Crossref$$oM. C. Desjonquères Concepts in Surface Physics 1995$$tConcepts in Surface Physics$$y1995
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(75)90187-9
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.53.4083
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.54.4519
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.4816
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.7157
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.69.2296
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.52.16
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(98)00363-X
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.30.561
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.31.1168
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.2254
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.64.045404
000043930 999C5 $$1F. Picaud$$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.16154$$p16 -$$tPhys. Rev. B$$v61$$y2000
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(72)90011-8
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.24.864
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.26.4571
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0022-3719/5/13/012
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.6671
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.13.5188
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1747632
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.66.075212
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.10.4988
000043930 999C5 $$1N. W. Ashcroft$$2Crossref$$oN. W. Ashcroft Solid State Physics 1976$$tSolid State Physics$$y1976
000043930 999C5 $$1B. Ozoliņŝ$$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevA.48.R18$$p18 -$$tPhys. Rev. B$$v48$$y1993
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.51.4105
000043930 999C5 $$1G. Boisvert$$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.57.1881$$p1881 -$$tPhys. Rev. B$$v57$$y1997
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.15.491
000043930 999C5 $$1P. R. Norton$$2Crossref$$oP. R. Norton 1979$$y1979
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(02)01547-9
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1209/epl/i2002-00413-7
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0022-3719/12/15/007
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.9.1341
000043930 999C5 $$1F. Herman$$2Crossref$$9-- missing cx lookup --$$a10.1149/1.2426131$$y1963
000043930 999C5 $$1S. H. Vosko$$2Crossref$$9-- missing cx lookup --$$a10.1139/p80-159$$p1200 -$$tCan. J. Phys.$$v58$$y1980
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.23.5048
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.6303
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/(SICI)1097-461X(1999)75:4/5<889::AID-QUA54>3.0.CO;2-8
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.43.8829
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(01)01488-1
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(94)00703-9
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(88)90406-2
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.38.7275
000043930 999C5 $$1S. Homlberg$$2Crossref$$oS. Homlberg 1991$$y1991
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(97)00079-4
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(84)90485-0
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(85)90813-1
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(87)81038-5
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(86)90678-3
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.1673
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(99)00184-3
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(02)01156-1
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0927-0256(00)00014-8
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.56.2175
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.28.6758
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.39.1940
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(90)90519-E
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0039-6028(95)00758-X
000043930 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.12.1257