Zobrazeno 1 - 10
of 67
pro vyhledávání: '"S Mankefors"'
Publikováno v:
Nanotechnology. 14:849-858
For the binding of thiols to Au, the Au–S interaction is decisive for the geometry, bonding strength and transmissivity of the metal–molecule interface. Using ab initio methods we investigate the adsorption of sulfur (S) on the Au(111) surface fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::74e085dd060b68a93ab1a1adfbb1d8f8
https://doi.org/10.1088/0957-4484/14/8/303
https://doi.org/10.1088/0957-4484/14/8/303
Autor:
P O Nilsson, S Mankefors
Publikováno v:
Journal of Physics: Condensed Matter. 13:823-832
Using ab initio calculations we have been able to show that the traditionally assumed charge redistribution on III-V semiconductor (110) surfaces has to be modified. The use of ab initio local ionicity calculations confirms that the relative polarity
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bb8dc0a554d08746bc532b54d5c1af9b
https://doi.org/10.1088/0953-8984/13/5/304
https://doi.org/10.1088/0953-8984/13/5/304
Autor:
S. Mankefors
Publikováno v:
Applied Surface Science. 166:313-316
The electronic structure of 1, 2 and 5 monolayers (ML) of AlAs(100) buried in GaAs has been investigated by ab initio calculations. Distinct differences are observed in the density of states (DOS). In particular, interface states are found for the 1-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70d5d2a47a243f17ff1ff11df82eaa0b
https://doi.org/10.1016/s0169-4332(00)00470-0
https://doi.org/10.1016/s0169-4332(00)00470-0
Autor:
Thorvald Andersson, S. Mankefors, Joseph Nordgren, Akane Agui, Conny Såthe, Janusz Kanski, K. Karlsson, Junji Guo, Per-Olof Nilsson
Publikováno v:
Applied Surface Science. 166:309-312
A study of the electronic structure of ultrathin AlAs layers buried in GaAs(100) and their interfaces is presented. Al L-2,L-3 soft-X-ray-emission (SXE) spectra from the AlAs layers were measured. ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a865d19ca4b2fc0aa537e72a71dc3247
https://doi.org/10.1016/s0169-4332(00)00468-2
https://doi.org/10.1016/s0169-4332(00)00468-2
Autor:
S. Mankefors
Publikováno v:
Surface Science. 453:171-182
Ab-initio methods are used for the first time to investigate the geometrical and electronic structure of ideal III–V (211) semiconductor surfaces. Very large relaxations are found, and the (211)A and (211)B type surfaces show extensive differences
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::27e393d2a820995ba533b92138506ba5
https://doi.org/10.1016/s0039-6028(00)00340-x
https://doi.org/10.1016/s0039-6028(00)00340-x
Autor:
P O Nilsson, S Mankefors
Publikováno v:
Journal of Physics: Condensed Matter. 12:2429-2437
Alternative general definitions of ionicity and ionic radii based on the charge density null-flux concept are introduced. This method is local in nature and possible to adapt to any atom in any physical system including surfaces, interfaces, defects
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5a64590cdc91805b6cf41a1a37e2d16
https://doi.org/10.1088/0953-8984/12/11/309
https://doi.org/10.1088/0953-8984/12/11/309
Autor:
S Mankefors
Publikováno v:
Journal of Physics: Condensed Matter. 12:2423-2428
First principles calculations show the expected trend of increasing polarity for the alkaline earth oxides MgO, CaO and SrO to be reversed, with MgO being the most ionic substance and SrO the most covalent one. The larger radii for Ca and Sr cations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0158504b8a0dadbb44bc335264750902
https://doi.org/10.1088/0953-8984/12/11/308
https://doi.org/10.1088/0953-8984/12/11/308
Autor:
Joseph Nordgren, P. O. Nilsson, S. Mankefors, Thorwald G. Andersson, K. Karlsson, Junji Guo, Janusz Kanski, Akane Agui, Conny Såthe
Publikováno v:
Physical Review B. 61:5540-5545
Ultrathin AlAs(100) layers of 1-, 2-, and 5-ML thickness buried in GaAs are investigated by nb initio calculations. Unique experimental soft-x-ray emission spectra are explained in terms of interfa ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3136bf1b3fab5322cd6837540c1dfd6
https://doi.org/10.1103/physrevb.61.5540
https://doi.org/10.1103/physrevb.61.5540
Autor:
S P Svensson, S Mankefors
Publikováno v:
Journal of Physics: Condensed Matter. 12:1223-1237
Unique extensive ab initio band structure calculations have been performed to investigate the electronic and atomic structural dependency on the Tl concentration of (Tl, Ga)As. No approximations of the surrounding material are made, but the entire pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::592dffdf64ce72f4ab0899d4cbc01f29
https://doi.org/10.1088/0953-8984/12/7/307
https://doi.org/10.1088/0953-8984/12/7/307
Publikováno v:
Physical Review B. 61:2065-2072
Arsenic deposition on InP(110) was studied by means of core-level and valence-band photoemission. By systematic spectral decompositions, it was found that the adsorption at room temperature is nonreactive. At elevated temperatures the As $3d$ spectra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d6999efb3cbbf7e708f096078d2a00fb
https://doi.org/10.1103/physrevb.61.2065
https://doi.org/10.1103/physrevb.61.2065