Háskóli ÍslandsUniversity of IcelandMarques, Y.Obispo, A. E.Ricco, L. S.de Souza, M.Shelykh, IvanSeridonio, A. C2019-03-112019-03-112017-07-11Marques, Y., Obispo, A. E., Ricco, L. S., de Souza, M., Shelykh, I. A., & Seridonio, A. C. (2017). Antibonding ground state of adatom molecules in bulk Dirac semimetals. Physical Review B, 96(4), 041112. doi:10.1103/PhysRevB.96.0411122469-99502469-9969 (eISSN)https://hdl.handle.net/20.500.11815/1045Publisher's version (útgefin grein)The ground state of the diatomic molecules in nature is inevitably bonding, and its first excited state is antibonding. We demonstrate theoretically that, for a pair of distant adatoms placed buried in three-dimensional-Dirac semimetals, this natural order of the states can be reversed and an antibonding ground state occurs at the lowest energy of the so-called bound states in the continuum. We propose an experimental protocol with the use of a scanning tunneling microscope tip to visualize the topographic map of the local density of states on the surface of the system to reveal the emerging physics.041112eninfo:eu-repo/semantics/openAccessSemimetalsDirac semimetalAnderson impurity modelGreen's function methodsCondensed Matter & Materials PhysicsMálmungarÞéttefnisfræðiinfo:eu-repo/semantics/articlePhysical Review B10.1103/PhysRevB.96.041112