Matches in SemOpenAlex for { <https://semopenalex.org/work/W2149678884> ?p ?o ?g. }
- W2149678884 endingPage "715" @default.
- W2149678884 startingPage "703" @default.
- W2149678884 abstract "All-electron full-potential linearized augmented plane-wave calculations of the surface energy, work function, and interlayer spacings of close-packed metal surfaces are presented, in particular, for the free-electron-like metal surfaces, Mg(0 0 0 1) and Al(1 1 1), and for the transition metal surfaces, Ti(0 0 0 1), Cu(1 1 1), Pd(1 1 1), and Pt(1 1 1). We investigate the convergence of the surface energy as a function of the number of layers in the slab, using the Cu(1 1 1) surface as an example. The results show that the surface energy, as obtained using total energies of the slab and bulk from separate calculations, converges well with respect to the number of layers in the slab. Obviously, it is necessary that bulk and surface calculations are performed with the same high accuracy. Furthermore, we discuss the performance of the local-density and generalized gradient approximations for the exchange–correlation functional in describing the various surface properties." @default.
- W2149678884 created "2016-06-24" @default.
- W2149678884 creator A5067145443 @default.
- W2149678884 creator A5077065362 @default.
- W2149678884 creator A5082469506 @default.
- W2149678884 date "2006-02-01" @default.
- W2149678884 modified "2023-10-18" @default.
- W2149678884 title "Converged properties of clean metal surfaces by all-electron first-principles calculations" @default.
- W2149678884 cites W1967284853 @default.
- W2149678884 cites W1968466890 @default.
- W2149678884 cites W1971029491 @default.
- W2149678884 cites W1971166629 @default.
- W2149678884 cites W1972213379 @default.
- W2149678884 cites W1979676653 @default.
- W2149678884 cites W1981368803 @default.
- W2149678884 cites W1982664426 @default.
- W2149678884 cites W1983659180 @default.
- W2149678884 cites W1985190780 @default.
- W2149678884 cites W1987294322 @default.
- W2149678884 cites W1988762313 @default.
- W2149678884 cites W1988993383 @default.
- W2149678884 cites W1989604873 @default.
- W2149678884 cites W1992347867 @default.
- W2149678884 cites W1994398479 @default.
- W2149678884 cites W1995693499 @default.
- W2149678884 cites W1998619996 @default.
- W2149678884 cites W2004386073 @default.
- W2149678884 cites W2005482490 @default.
- W2149678884 cites W2008028694 @default.
- W2149678884 cites W2012890817 @default.
- W2149678884 cites W2013215895 @default.
- W2149678884 cites W2019887465 @default.
- W2149678884 cites W2021397055 @default.
- W2149678884 cites W2024089572 @default.
- W2149678884 cites W2027897133 @default.
- W2149678884 cites W2030976617 @default.
- W2149678884 cites W2032232779 @default.
- W2149678884 cites W2036113194 @default.
- W2149678884 cites W2038578750 @default.
- W2149678884 cites W2039136921 @default.
- W2149678884 cites W2045183715 @default.
- W2149678884 cites W2046274096 @default.
- W2149678884 cites W2047657267 @default.
- W2149678884 cites W2049079467 @default.
- W2149678884 cites W2052619030 @default.
- W2149678884 cites W2052781252 @default.
- W2149678884 cites W2053653363 @default.
- W2149678884 cites W2054455613 @default.
- W2149678884 cites W2054996199 @default.
- W2149678884 cites W2055796966 @default.
- W2149678884 cites W2057821075 @default.
- W2149678884 cites W2059481468 @default.
- W2149678884 cites W2060604266 @default.
- W2149678884 cites W2068853187 @default.
- W2149678884 cites W2077601584 @default.
- W2149678884 cites W2080905226 @default.
- W2149678884 cites W2082323303 @default.
- W2149678884 cites W2084668805 @default.
- W2149678884 cites W2085129009 @default.
- W2149678884 cites W2086731090 @default.
- W2149678884 cites W2087248810 @default.
- W2149678884 cites W2094433964 @default.
- W2149678884 cites W2094964209 @default.
- W2149678884 cites W2095143272 @default.
- W2149678884 cites W2103848598 @default.
- W2149678884 cites W2117026746 @default.
- W2149678884 cites W2117868972 @default.
- W2149678884 cites W2230728100 @default.
- W2149678884 cites W2996306552 @default.
- W2149678884 cites W3103250498 @default.
- W2149678884 cites W3105820049 @default.
- W2149678884 cites W3206606417 @default.
- W2149678884 cites W4232357154 @default.
- W2149678884 doi "https://doi.org/10.1016/j.susc.2005.12.008" @default.
- W2149678884 hasPublicationYear "2006" @default.
- W2149678884 type Work @default.
- W2149678884 sameAs 2149678884 @default.
- W2149678884 citedByCount "246" @default.
- W2149678884 countsByYear W21496788842012 @default.
- W2149678884 countsByYear W21496788842013 @default.
- W2149678884 countsByYear W21496788842014 @default.
- W2149678884 countsByYear W21496788842015 @default.
- W2149678884 countsByYear W21496788842016 @default.
- W2149678884 countsByYear W21496788842017 @default.
- W2149678884 countsByYear W21496788842018 @default.
- W2149678884 countsByYear W21496788842019 @default.
- W2149678884 countsByYear W21496788842020 @default.
- W2149678884 countsByYear W21496788842021 @default.
- W2149678884 countsByYear W21496788842022 @default.
- W2149678884 countsByYear W21496788842023 @default.
- W2149678884 crossrefType "journal-article" @default.
- W2149678884 hasAuthorship W2149678884A5067145443 @default.
- W2149678884 hasAuthorship W2149678884A5077065362 @default.
- W2149678884 hasAuthorship W2149678884A5082469506 @default.
- W2149678884 hasConcept C106773901 @default.
- W2149678884 hasConcept C113740112 @default.
- W2149678884 hasConcept C115235246 @default.
- W2149678884 hasConcept C120665830 @default.