Scanning tunneling spectroscopy and density functional calculation of silicon dangling bonds on the Si(100)-2×1:H surface

Spatially resolved scanning tunneling spectroscopy of single-layer steps on Si(100) surfaces

“…At room temperature, we obtained dn curves on both clean and H-terminated Si(100) surfaces, as shown by the brown and blue curves in Fig. 4(b), that agree very well with previous studies [24,51,52,58,60,68]. The absence of the three peaks on the hydrogen-terminated surface confirms that the occupied state peak and the two unoccupied state peaks on clean Si(100) surfaces result from the dangling bond surface states.…”

“…Single-layer step morphology and growth mechanisms on Si(100) surfaces have been intensively studied using STM [4,7,[11][12][13][14][15][16][17][18][19][20][21][22]. In addition, extensive scanning tunneling spectroscopy observations [23][24][25] and ab initio calculations [26][27][28][29][30] have been carried out to study isolated dangling bonds and dangling bond wire systems on H-terminated Si(100) surfaces due to their technological importance as atomic-scale nanowires [31] and potential use in achieving atomic-scale quantum devices [32]. However, in spite of the significant effect on local electronic behavior, there has been very limited experimental [22,33] and theoretical work [3,34] providing insight into the electronic properties of single-layer step edges on the Si(100) surface.…”

Scanning tunneling spectroscopy reveals a silicon dangling bond charge state transition

“…Even though previous studies already discussed the STS of single DBs on n-type Si(100):H [40,41,45,49], the STS features presented in this article and the related voltage-dependent evolution of STM images in filledstate were not previously reported in the literature. Bearing in mind the previous results obtained on the 1050°C flashed samples, it becomes clear that the key point for our observations is the subsurface dopant-depletion layer induced by the sample thermal treatment.…”

Mechanisms for Hydrolysis of Silicon Nanomembranes as Used in Bioresorbable Electronics

“…DFT Simulations : Previous results demonstrate that DFT can accurately capture the atomic interactions between silicon structures and various molecules, as well as other materials under different conditions . Calculations reported here used the Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) package .…”