Related papers: Carrier doping of Bi$_2$Se$_3$ surface by chemical…
A combined experimental and theoretical study of doping individual Fe atoms into Bi2Se3 is presented. It is shown through a scanning tunneling microscopy study that single Fe atoms initially located at hollow sites on top of the surface…
Chemical adsorption of the species at semiconductor surfaces is analyzed showing the existence of the two contributions to adsorption energy: bond creation and charge transfer. It is shown that the energy of quantum surface states is…
Gas molecule doping on the topological insulator Bi2 Se3 surface with existing Se vacancies is investigated using first-principles calculations. Consistent with experiments, NO2 and O2 are found to occupy the Se vacancy sites, remove…
We theoretically study, through combining the density functional theory and an unfolding technique, the electronic band structure and the charge doping effects for the deposition of potassium (K) on multilayer FeSe films grown on SrTiO3…
Spatially controlling the Fermi level of topological insulators and keeping its electronic states stable are indispensable processes to put this material into practical use for semiconductor spintronics devices. So far, however, such a…
With a large band gap and a single Dirac cone responsible for the topological surface states, Bi2Se3 is widely regarded as a prototypical 3D topological insulator. Further applications of the bulk material has, however, been hindered by…
Bi2Se3 is a topological insulator with metallic surface states residing in a large bulk bandgap. It is believed that Bi2Se3 gets additional n-type doping after exposure to atmosphere, thereby reducing the relative contribution of surface…
Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface. Particular attention is paid to the mobility of oxygen…
We report the effect of Sn doping on the transport properties of the topological insulator Bi_{2}Te_{2}Se studied in a series of Bi_{2-x}Sn_{x}Te_{2}Se crystals with 0 \leq x \leq 0.02. The undoped stoichiometric compound (x = 0) shows an…
Bismuth selenide (Bi2Se3) is a good topological insulator (TI) with its surface band Dirac point inside the bulk bandgap. However, Bi2Se3 films grown by molecular beam epitaxy (MBE) often require tuning of Fermi level near the Dirac point…
Using angle resolved photoemission spectroscopy we studied the evolution of the surface electronic structure of the topological insulator $\text{Bi}_2\text{Se}_3$ as a function of water vapor exposure. We find that a surface reaction with…
It has been demonstrated in previous experimental and computational work that doping CeO2 with transition metals is an effective way of tuning its properties. However, each previous study on CeO2 doping has been limited to a single or a few…
Vapor growth of semiconductors is analyzed using recently obtained dependence of the adsorption energy on the electron charge transfer between the surface adsorbed species and the bulk [Krukowski et al. J. Appl. Phys. 114 (2013) 063507,…
Using scanning tunneling spectroscopy we have studied the effects of nitrogen gas exposure on the bismuth selenide density of states. We observe a shift in the Dirac point which is qualitatively consistent with theoretical modeling of…
A two-step doping process, magnetic followed by charge or vice versa, is required to produce insulating massive surface states in topological insulators for many physics and device applications. Using first-principles calculations, we…
Topological insulators possess a non-conductive bulk and present surface states, henceforth, they are electrically conductive along their boundaries. Bismuth selenide ($Bi_2Se_3$) is one of the most promising topological insulators.…
We have performed an {\it ab initio} theoretical investigation of graphene sheet adsorbed on amorphous SiO$_2$ surface (G/a-SiO$_2$). We find that graphene adsorbs on the a-SiO$_2$ surface through van der Waals interactions. The…
We have performed a density functional study of graphene adsorbed on Au(111) surface using both a local density approximation and a semiempirical van der Waals approach proposed by Grimme, known as the DFT-D2 method. Graphene physisorbed on…
The observation of helical surface states in Bi-based three-dimensional topological insulators has been a challenge since their theoretical prediction. The main issue raises when the Fermi level shifts deep into the bulk conduction band due…
The effect of vacancy and water adsorption on the electronic structure of semiconducting 2D trichalcogenide material CrPX$_3$ (X: S, Se) is studied using state-of-the-art density functional theory (DFT) approach. It is found that chalcogen…