Related papers: P-type doping of elemental bismuth with indium, ga…
Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso code. The properties studied are electronic, optical, and…
The evolution of the electronic structures of strongly correlated insulators with doping has long been a central fundamental question in condensed matter physics; it is also of great practical relevance for applications. We have studied the…
We present a systematic study on the stability and the structural and electronic properties of mixed molybdenum-niobium disulphides. Using density functional theory we investigate bilateral doping with up to 25 % of MoS2 (NbS2) by Nb (Mo)…
Recent experiments demonstrated that isovalent doping system gives the similar phase diagram as the heterovalent doped cases. For example, with the phosphorous (P)-doping, the magnetic order in BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ compound…
Recent reports reveal that isothermal chemical doping of hydrogen in correlated complex oxides such as perovskite nickelates (e.g. NdNiO3) can induce a metal-to-insulator transition (MIT) without the need for temperature modulation. In this…
Diamond and many newly emerged semiconductor materials show outstanding optical and magnetic properties. However, they cannot be as efficiently doped as silicon or gallium arsenide, which limits their practical applicability. Here, we…
Doping mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the enabling step in the electronic and optoelectronic revolutions. The recent emergence of a class of "Quantum Materials", where uniquely quantum…
Application of a significantly large bias voltage to small Bi2Sr2CaCu2O8+x mesa structures leads to persistent doping of the mesas. Here we employ this effect for analysis of the doping dependence of the electronic spectra of Bi-2212 single…
To reveal the relative importance of charge doping and defect scattering in substitutionally modified 122 iron pnictides, we perform a systematic first principles study on selected bands at the Fermi level. Disorder effects are induced by…
This study investigates the influence of indium doping on the defect states in (Bi0.3Sb0.7)2Te3 (BST) ternary topological insulators. Thin (10 nm) and thick (60 nm) films of pristine BST and indium-doped BST (In0.14(Bi0.3Sb0.7)1.86Te3) were…
Topological insulators are a new class of insulators with conducting surface state. Most of the topological insulators are chalcogenides, where a tiny amount of chalcogen vacancy destroys the predicted bulk insulating state and results in a…
Doped heavy metal-free III-V semiconductor nanocrystal quantum dots are of great interest both from the fundamental aspects of doping in highly confined structures, and from the applicative side of utilizing such building blocks in the…
We report a first principles systematic study of atomic, electronic, and magnetic properties of hydrogen saturated silicon nanowires (H-SiNW) which are doped by transition metal (TM) atoms placed at various interstitial sites. Our results…
We present a new generation of nano-electromechanical systems (NEMS), which are realized by doping the semiconductor base material. In contrast to the traditional approach these doped NEMS (D-NEMS) do not require a metallization layer. This…
Solar-driven water electrolysis requires high-performance photoelectrodes that exhibit excellent photoabsorption, superior charge transport, and optimized thermal management. In this work, we conducted a first-principles investigation to…
Ge-on-Si structures with three different dopants (P, As and B) and those without intentional doping were grown and annealed. Several different materials characterization methods have been performed to characterize the Ge film quality. All…
Si-Ge interdiffusion with a high phosphorus doping level was investigated by both experiments and modeling. Ge/Si1-xGex/Ge multi-layer structures with 0.75<x_Ge<1 , a mid-10^18 to low-10^19 cm-3 P doping and a dislocation density of 10^8 to…
Acceptor and donor doping is a standard for tailoring semiconductors. More recently, doping was adapted to optimize the behavior at ferroelectric domain walls. In contrast to more than a century of research on semiconductors, the impact of…
SnSe is a promising thermoelectric material with record-breaking figure of merit, \textit{i.e., ZT}. As a semiconductor, optimal electrical dosage is the key challenge to maximize \textit{ZT} in SnSe. However, to date a comprehensive…
We discuss the mechanism responsible for the observed improvement in the structural properties of In doped GaSe, a layered material of great current interest. Formation energy calculations show that by tuning the Fermi energy, In can…