Figure 1

Comparison of the Si-DB structure of $p$- and $n$-type hydrogenated Si(100). (a) and (b) (38.5 × 22.3 Å${}^2$) occupied and unoccupied state STM topographies of a single Si-DB on the $p$-type doped Si(100):H surface, respectively. (c) Ball and stick sketch of the $p$-type Si(100):H surface. The dark blue, blue, and light blue balls are silicon atoms of the fourth, third, and second layers. The light green balls indicate the positions of the first silicon layer. The silicon dimer with the Si-DB is colored in orange. The white balls are H atoms and the grey ball is a Ga dopant atom. (d) and (e) (38.5 × 22.3 Å${}^2$) occupied and unoccupied state STM topographies of a single Si-DB on the $n$-type doped Si(100):H surface. (f) same as (c) for the $n$-type doped Si(100):H surface. The purple ball is an As dopant atom.Reuse & Permissions

Figure 2

Calculation of the electronic structure of the $p$- and $n$-type doped Si(100):H surface with a Si-DB. (a) and (b) Comparison of the calculated spin polarized projected density of states (PDOS) onto the dopant atom and the Si-DB for a $p$- or $n$-type doped Si(100):H surface, respectively. (c) and (d) Ball and stick representation (side view) of the relaxed structure of the $p$- or $n$-type doped Si(100):H surface, respectively, indicating the tilt angle of the silicon dimer where the Si-DB is present.Reuse & Permissions

Figure 3

Charging and discharging of a single Si-DB on a $p$-type doped Si(100):H surface. (a)–(c) Series of successive (38.5 × 34 Å${}^2$) STM topographies recorded at various surface voltages used to induce the charging of the Si-DB. (d)–(f) Series of successive (38.5 × 34 Å${}^2$) STM topographies recorded at various surface voltages showing the discharging process of the Si-DB. All STM topographies are recorded on the same Si-DB with a tunnel current of 110 pA. Each STM topography takes about 40 s.Reuse & Permissions

Figure 4

Schematic energy band diagram of the STM junction during the charging process of a single Si-DB on a $p$-type doped Si(100):H surface. (a) Energy band diagram of the STM junction at $Vs$ $=$ 0 V. According to the calculation of Fig. 2a, the spin-down state energy of the Si-DB is unoccupied above the Fermi level. The Si-DB is in its neutral charge state (in average) and down position with a calculated angle of $-$9.3° relative to the horizontal plane. (b) Energy band diagram of the STM junction at $Vs$ $=$ $-$2.5 V. Due to the tip induced band bending, the two spin states of the Si-DB have energies below the Fermi level. The Si-DB is in its negative charge state and up position with an angle around $+$7.5°.Reuse & Permissions