"2014-06-25+02:00"^^ . "2013-06-12+02:00"^^ . . "2013-12-31+01:00"^^ . . "Projekt je zam\u011B\u0159en na ab initio v\u00FDpo\u010Dty pro interpretaci mikroskopie s rastruj\u00EDc\u00ED sondou. Prov\u00E1d\u011Bn\u00E9 prvoprincipi\u00E1ln\u00ED simulace umo\u017Enily modelovat celou \u0159adu vliv\u016F a vyj\u00E1d\u0159it jejich v\u00FDznam pro experiment. \u0158e\u0161itel \u0159adu d\u00EDl\u010D\u00EDch v\u00FDsledk\u016F publikoval v prac\u00EDch rozs\u00E1hlej\u0161\u00EDch kolektiv\u016F, jeho pod\u00EDl je v\u0161ak patrn\u00FD."@cs . . "0"^^ . . . . "0"^^ . . "http://www.isvav.cz/projectDetail.do?rowId=GPP204/11/P578"^^ . . . . "ab-initio calculations scanning tunneling microscopy atomic force microscopy chemical resolution atomic manipulations atomic structure tip structure surfaces graphite graphene silicon alloys organic molecules"@en . . "1"^^ . "Rastrovac\u00ED tunelov\u00FD mikroskop i mikroskop atom\u00E1rn\u00EDch sil jsou schopny dos\u00E1hnout atom\u00E1rn\u00EDho rozli\u0161en\u00ED p\u0159i zobrazov\u00E1n\u00ED pevn\u00FDch povrch\u016F. Souvislost tunelov\u00E9ho proudu nebo atom\u00E1rn\u00EDch sil se skute\u010Dnou atom\u00E1rn\u00ED a elektronovou strukturou zobrazovan\u00FDch povrch\u016F v\u0161ak nen\u00ED p\u0159\u00EDmo\u010Dar\u00E1. Aby bylo mo\u017En\u00E9 l\u00E9pe interpretovat data poskytovan\u00E1 t\u011Bmito mikroskopy, budou provedeny rozs\u00E1hl\u00E9 ab-initio v\u00FDpo\u010Dty, simuluj\u00EDc\u00ED interakci hrotu rastruj\u00EDc\u00ED sondy s vybran\u00FDmi typy povrchu. Zahrnuta bude i relaxace struktury hrotu a povrchu v d\u016Fsledku vz\u00E1jemn\u00E9 interakce. Bude vypo\u010Dten tunelov\u00FD proud a s\u00EDla vz\u00E1jemn\u00E9ho p\u016Fsoben\u00ED v z\u00E1vislosti na poloze hrotu. Mezi vybran\u00FDmi modelov\u00FDmi povrchy budou povrchy grafitu a k\u0159em\u00EDku s p\u0159\u00EDpadn\u00FDm adsorb\u00E1tem i povrchy kovov\u00FDch slitin. Budou porovn\u00E1ny v\u00FDsledky z\u00EDskan\u00E9 s r\u016Fzn\u00FDmi modely hrotu. Tak\u00E9 bude studov\u00E1na mo\u017Enost chemick\u00E9 identifikace jednotliv\u00FDch atom\u016F a mo\u017Enost manipulovat atomy pomoc\u00ED rastruj\u00EDc\u00EDho hrotu." . . "Ab-initio calculations for the interpretation of scanning-probe microscopy"@en . "10"^^ . "2011-01-01+01:00"^^ . "Ab-initio v\u00FDpo\u010Dty pro interpretaci mikroskopie s rastruj\u00EDc\u00ED sondou" . "10"^^ . . . "The project is focused on ab initio calculations for the interpretation of scanning probe microscopy. Performed first principles simulations allow to model a wide range of influences and express their importance for the experiment. The investigator published a number of partial results in the works of larger collectives; however his work is evident."@en . . "GPP204/11/P578" . . . "Scanning tunneling microscope and atomic force microscope are both capable of imaging solid surfaces with atomic resolution. However, the relation of the tunneling current or atomic forces to the real atomic and electronic structure of the imaged surface is not straightforward. In order to facilitate the interpretation of data yielded by this microscopic methods, extensive ab-initio calculations will be performed, simulating the interaction of the scanning tip with selected types of surfaces. Relaxation of the tip and surface structure due to their interaction will be taken into account. Tunneling conductance and the interaction force will be calculated as functions of the tip position. Graphite and silicon surfaces covered with adsorbates as well as surfaces of metallic alloys will be chosen for the simulations. Results obtained for several plausible models of the probing tip will be compared. The possibilities of achieving chemical identification of individual atoms and performing deliberate atomic manipulations with the scanning tip will be explored."@en . .