相关论文: Electric-Field Gradient at Cd Impurities in In2o3.…
The presence of impurities is considered in gyrokinetic calculations of ion temperature gradient (ITG) instabilities and turbulence in the reversed field pinch device RFX-mod. This device usually exhibits hollow Carbon/Oxygen profiles,…
We study the problem of the electron excitation spectrum in the presence of point-like and regularized Coulomb impurities in gapped graphene. To this end, we use the Dirac model and in the point-like case theory of self-adjoint extensions…
Hybrid functionals and empirical correction schemes are compared to conventional semi-local density functional theory (DFT) calculations in order to assess the predictive power of these methods concerning the formation energy and the charge…
Spatially varying electric fields are prevalent throughout nature, such as in nanoporous materials and biological membranes, and technology, e.g, patterned electrodes and van der Waals heterostructures. While uniform fields cause free ions…
A brief history of the impurity theories in semiconductors is provided. A bound exciton model is proposed for both donor- and acceptor- like impurities and point defects, which offers a unified understanding for "shallow" and "deep"…
Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this…
Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO2 were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the…
Triple point fermions are elusive electronic excitations that generalize Dirac and Weyl modes beyond the conventional high energy paradigm. Yet, finding real materials naturally hosting these excitations at the Fermi energy has remained…
We investigated the effect of spin polarization on the structural properties and gradient of electric field (EFG) on Sn, In, and Cd impurity in RSn$_3$ (R=Sm, Eu, Gd) and RIn$_3$ (R=Tm, Yb, Lu) compounds. The calculations were performed…
The electron states in the field of a charged impurity in graphene in a magnetic field are studied numerically. It is shown that a charged impurity removes the degeneracy of Landau levels converting them into bandlike structures. As the…
Electric field gradient effects induced by an asymmetrically in-plane shaped GaAs/AlGaAs modulation-doped structures of various design are investigated within 4-300 K temperature range. It is demonstrated that current-voltage…
A theory of collective states in a magnetically quantized two-dimensional electron gas (2DEG) with half-filled Landau level (quantized Hall ferromagnet) in the presence of magnetic 3d impurities is developed. The spectrum of bound and…
Quantum impurity models provide a central framework for correlated electron physics, with quantum dots enabling controlled experimental realizations. While their weak-coupling behavior is well understood through mappings to Kondo…
Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications ranging from solar photovoltaics to infrared lasers. While these…
We study ferromagnetic transition in three-dimensional double-exchange model containing impurities. The influence of both spin fluctuations and impurity potential on conduction electrons is described in coherent potential approximation. In…
The mathematical model describing the non-stationary natural pH-gradient arising under the action of an electric field in an aqueous solution of ampholytes (amino acids) is constructed and investigated. The model is part of a more general…
In this chapter, we demonstrate a general formulation of the Finite Element Method allowing to calculate the diffraction efficiencies from the electromagnetic field diffracted by arbitrarily shaped gratings embedded in a multilayered stack…
Excess charge on polar surfaces of ionic compounds is commonly described by the two-dimensional electron gas (2DEG) model, a homogeneous distribution of charge, spatially-confined in a few atomic layers. Here, by combining scanning probe…
A simple algorithm and a computational program to numerically compute the electric field gradient and the concomitant quadrupolar nuclear splitting is developed for an arbitrary ionic crystal. The calculations are performed using a point…
We report on the emergence of an Electronic Griffiths Phase (EGP) in the doped semiconductor FeSb$_{2}$, predicted for disordered insulators with random localized moments in the vicinity of a metal-insulator transition (MIT). Magnetic,…