相关论文: First-principles study of defects and doping limit…

Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the $3d$ series. The effect of O doping is…

By paying special attention to the fact that the doped holes induce deformation of CuO6 octahedrons (or CuO5 pyramids) in cuprate superconductors, we develop a non-rigid band theory treating doping-induced alterations of energy-band…

The electronic structure, magnetism and Fermi surface of a hole self-doped potential iron-based superconductor KCa$_2$Fe$_4$As$_4$O$_2$ (12442) were studied by a first-principes DFT/GGA approach. The projection onto Wannier functions basis…

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…

We propose a possible scenario for the new metallic conductivity of underdoped and optimally doped cuprates. Charge carriers are assumed to be large polarons which form a Fermi-liquid and Cooper-like pairs below a crossover tempurature…

Cubic boron nitride (cBN) is an ultra-wide bandgap, super-hard material with potential for extreme-temperature and -pressure applications. A proof-of-principle p-n junction using cBN was demonstrated almost three decades ago. However, to…

Incommensurate (IC) charge-order (CO) and spin density wave (SDW) order in electron doped SrMn1-xWxO3-{\delta} (x= 0.08 to 0.1875) have been studied using neutron diffraction.The study highlights the drastic effect of electron doping on the…

Recent results on electrons and holes doped CuO 2 planes confirm the marked covalency of CuO bonding, suggesting a band picture of long and short range antiferromagnetism. The maxima of superconductive T c versus doping can be related to…

The recent discovery of an incipient charge density wave (CDW) instability competing with superconductivity in a class of high temperature cuprate superconductors has brought the role of charge order in the cuprate phase diagram under…

We have performed a temperature-dependent angle-integrated photoemission study of lightly-doped to heavily-overdoped La$_{2-x}$Sr$_{x}$CuO$_4$ and oxygen-doped La$_2$CuO$_{4.10}$. We found that both the magnitude $\Delta$* of the (small)…

We report our extensive 57Fe-, 75As-, 139La-, and 1H-NMR studies of La_{0.8}Y_{0.2}FeAsO_{1-y} (La_{0.8}Y_{0.2}1111) and LaFeAsO_{1-y}H_{x}(La1111H), where doping yttrium (Y) and hydrogen (H) into optimally doped LaFeAsO_{1-y} (La1111(OPT))…

In this paper, an attempt is made to elucidate some aspects of the charge transport in a single CuO_2 plane. During the doping process, the simultaneously introduced oxygen holes as well as the electrons create two components plasma.…

The contribution of $O^{2-}$ ions to antiferromagnetism in $La_{2-x}Ae_xCuO_4$ ($Ae = Sr, Ba)$ is highly sensitive to doped holes. In contrast, the contribution of $Cu^{2+}$ ions to antiferromagnetism in $Nd_{2-x}Ce_xCuO_{4+y}$ is much less…

In the cuprate superconductor $YBa_2Cu_3O_{6+x}$, hole doping in the $CuO_2$ layers is controlled by both oxygen content and the degree of oxygen-ordering. At the composition $\rm YBa_2Cu_3O_{6.35}$, the ordering can occur at room…

Whether a quantum critical point (QCP) demarcates the end of the pseudogap (PG) regime in hole-doped cuprates at a singular doping level $p^* \approx 0.19$ remains an open question. A crucial part of this puzzle is how the carrier density…

Nickel oxide is a versatile p-type semiconducting oxide with many applications in opto-electronic devices, but high doping concentrations are often required to achieve necessary electrical conductivity. In contrast to many other transparent…

First-principles calculations to study the electronic and magnetic properties of bulk, oxygen-deficient SrTiO$_3$ (STO) under different doping conditions and densities have been conducted. The appearance of magnetism in oxygen-deficient STO…

The synthesis of materials with well-controlled composition and structure improves our understanding of their intrinsic electrical transport properties. Recent developments in atomically controlled growth have been shown to be crucial in…

Recently the point defect responsible for the intra-3$d$ luminescence of cobalt in doped ZnO samples has been indentified\,\cite{pssb2019}. In this work we further extend our investigation to other point defects in Co-doped ZnO. We use…

High temperature superconductivity has been found in many kinds of compounds built from planes of Cu and O, separated by spacer layers. Understanding why critical temperatures are so high has been the subject of numerous investigations and…