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6 papers · 2 filters
Isotope effect in acetylene CH and CD rotations on Cu(001)
Yulia E. Shchadilova, Sergei G. Tikhodeev, Magnus Paulsson +1
A comprehensive analysis of the elementary processes behind the scanning tunneling microscope controlled rotation of CH and CD, isotopologues of a single acetylene…
Probing the wavefunction of the surface states in BiSe topological insulator: a realistic tight-binding approach
A. Pertsova, C. M. Canali
We report on microscopic tight-binding modeling of surface states in BiSe three-dimensional topological insulator, based on a sp Slater-Koster Hamiltonian, with paramet…
Cotunneling signatures of Spin-Electric coupling in frustrated triangular molecular magnets
J. F. Nossa, C. M. Canali
The ground state of frustrated (antiferromagnetic) triangular molecular magnets is characterized by two total-spin doublets with opposite chirality. According to a group t…
Rotation of a single acetylene molecule on Cu(001) by tunneling electrons in STM
Yulia E. Shchadilova, Sergei G. Tikhodeev, Magnus Paulsson +1
We study the elementary processes behind one of the pioneering works on STM controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Kel…
Magnetic Anisotropy of Single Mn Acceptors in GaAs in an External Magnetic Field
M. Bozkurt, M. R. Mahani, P. Studer +8
We investigate the effect of an external magnetic field on the physical properties of the acceptor hole states associated with single Mn acceptors placed near the (110) surface of…
Electric control of a single-molecule magnet in a single-electron transistor
J. F. Nossa, M. Fhokrul Islam, C. M. Canali +1
Using first-principles methods we study theoretically the properties of an individual single-molecule magnet (SMM) attached to metallic leads in a single-electron transi…