相关论文: Self-compensation in phosphorus-doped CdTe
Beta-phase gallium oxide (beta-Ga2O3) is prone to the spontaneous formation of donor defects but poses a formidable challenge in achieving high-quality p-type doping, mainly due to its exceptionally low valence band maximum (VBM). In this…
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…
(Al$_x$Ga$_{1{\rm -}x})_2$O$_3$ alloys are frequently used in heterostructures with monoclinic Ga$_2$O$_3$, resulting in a large conduction-band offset, which leads to charge carrier confinement, a property that is desirable for device…
In this work, doping-defect interactions relevant to self-compensation in p-type GaN were investigated using atom probe tomography. The 3D visualization of ion distribution revealed the formation of spherical Mg-rich clusters and the…
In doped Hund's metals, such as the iron-based superconductors, effects like charge doping and chemical pressure are often considered the dominant factors. Partial chemical substitution, however, inevitably introduces disorder. Here, we…
Self-assembled molecular monolayer doping remains as a research focus for its nature of being conformal, nondestructive, and self-limiting. Herein, we demonstrate a sulfur monolayer doping in GaAs, facilitated by (NH4)2Sx solution. The Van…
Codeposition of two molecular species [CuPc (donor) and PFP (acceptor)] on noble metal (111) surfaces leads to the self-assembly of an ordered mixed layer with maximized donor-acceptor contact area. The main driving force behind this…
The underdoped region of the cuprate's phase diagram displays many novel electronic phenomena both in the normal and the superconducting state. Many of these anomalous properties have found a natural explanation within the resonating…
Ab-initio density functional theory (DFT) calculations of the relative stability of anatase and rutile polymorphs of TiO2 were carried using all-electron atomic orbitals methods with local density approximation (LDA). The rutile phase…
We have demonstrated that the island nucleation in the initial stage of epitaxial thin film growth can be tuned by substrate surface charge doping. This charge effect was investigated using spin density functional theory calculation in…
In the present theoretical work we have considered impurities, either boron or phosphorous, located at different substitutional sites in silicon quantum dots (Si-QDs) with diameters around 1.5\,nm, embedded in a SiO2 matrix. Formation…
First-principles calculations have been performed to study the formation of defect complexes in Ti doped alpha-Al2O3 crystals. The formation energies of isolated Ti3+ and Ti4+ defects, pairs, triples and quadruples of Ti ions and Al…
We use neutron scattering to investigate the doping evolution of the magnetic correlations in the single-layer manganite $\rm Pr_{\it 1-x}Ca_{\it 1+x}MnO_4$, away from the $x=0.5$ composition where the CE-type commensurate antiferromagnetic…
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field…
Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…
We perform hybrid-density functional calculations to investigate the charged defect formation energy of native point defects in $Mg_2 Si$, $Mg_2 Sn$, and their solid solutions. The band gap correction by hybrid-density functional is found…
We report on growth of Te-doped self-catalyzed InAs nanowires by molecular beam epitaxy on silicon (111) substrates. Changes in the wire morphology, i.e. a decrease in length and an increase in diameter have been observed with rising doping…
In this paper we apply the emerging- consensus understanding of the fermionic self energy deduced from angle resolved photoemisssion spectroscopy (ARPES) experiments to deduce the implications for orbital diamagnetism in the underdoped…
On the basis of the Hubbard model, we extend the fluctuation-exchange (FLEX) approach to investigating the properties of antiferromagnetic (AF) phase in electron-doped cuprate superconductors. Furthermore, by incorporating the effect of…
We studied native point defects in CaS by DFT+ Hubbard U method. The effect of the localization of the d orbitals of Ca pseudopotential has been included. The Hubbard U corrected d-orbital for Ca sites are playing a role assisting the…