Author/Authors :
Cho, Kyeongjae Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Deviceand Technology - Nankai University - Tianjin 300071, China , Liu, Pan Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Deviceand Technology - Nankai University - Tianjin 300071, China , Wu, Maokun Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Deviceand Technology - Nankai University - Tianjin 300071, China , Liu, Hui Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Deviceand Technology - Nankai University - Tianjin 300071, China , Lu, Feng Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Deviceand Technology - Nankai University - Tianjin 300071, China , Wang, Wei-Hua Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Deviceand Technology - Nankai University - Tianjin 300071, China
Abstract :
Scanningtunnelingmicroscopy (STM) isanimportanttoolinsurfacescienceonatomicscalecharacterizationandmanipulation. Inthiswork, Tiadatommanipulationistheoreticallysimulatedbyusingatungstentip(W-tip)inSTMbasedonfirst-principlecalculations. TheresultsdemonstratethepossibilityofinsertingTiadatomsintotheatomicporesofmonolayerYBr3,whichisthermodynamicallystableatroomtemperature. Inthisprocess,theenergybarriersofverticalandlateralmovementsofTiare0.38eVand0.64eV,respectively,andtheTiatomsarestablyplacedwithinYBr3by>1.2eVbindingenergy. ThesetheoreticalpredictionsprovideaninsightthatitisexperimentallypromisingtomanipulateTiadatomandformartificiallydesigned2Dmagneticmaterials
Keywords :
First-Principle Prediction , STM Tip Manipulation , Ti Adatomon Two-Dimensional Monolayer YBr3 , Scanningtunnelingmicroscopy(STM)
