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| 001 | 46745 | ||
| 005 | 20230426083057.0 | ||
| 017 | _ | _ | |a This version is available at the following Publisher URL: http://prb.aps.org |
| 024 | 7 | _ | |a 10.1103/PhysRevB.63.085416 |2 DOI |
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| 084 | _ | _ | |2 WoS |a Physics, Condensed Matter |
| 100 | 1 | _ | |a Clarke, S. |0 P:(DE-Juel1)VDB239 |b 0 |u FZJ |
| 245 | _ | _ | |a Chemical effects in rare gas adsorption : FLAPW calculations for Ag(001) c (2x2)-Xe |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2001 |
| 300 | _ | _ | |a 085416 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
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| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Review B |x 1098-0121 |0 4919 |v 63 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a In order to investigate postulated chemical effects in adsorption of heavy rare gas atoms, we investigate the Ag(001)c(2x2)-Xe system using the full-potential linearized augmented plane-wave method. Adsorption in the on-top site is found to be favored by 8.6 meV-adsorption in this site suggests that there is a chemical contribution to the bonding. The topology of the charge density associated with the Xe 5p states clearly shows that these stares are involved in a bonding interaction with the substrate states. We also show that the extra splitting of the 5p(3/2) orbitals arises from adsorbate-adsorbate interactions. It is observed that the spin-orbit interaction drastically alters the electronic, but not geometric, properties of the system. |
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| 700 | 1 | _ | |a Bihlmayer, G. |0 P:(DE-Juel1)130545 |b 1 |u FZJ |
| 700 | 1 | _ | |a Blügel, S. |0 P:(DE-Juel1)130548 |b 2 |u FZJ |
| 773 | 1 | 8 | |a 10.1103/physrevb.63.085416 |b American Physical Society (APS) |d 2001-02-07 |n 8 |p 085416 |3 journal-article |2 Crossref |t Physical Review B |v 63 |y 2001 |x 0163-1829 |
| 773 | _ | _ | |a 10.1103/PhysRevB.63.085416 |g Vol. 63, p. 085416 |p 085416 |n 8 |q 63<085416 |0 PERI:(DE-600)2844160-6 |t Physical review / B |v 63 |y 2001 |x 0163-1829 |
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