Related papers: Computational Fermi level engineering and doping-t…
Doping and strain dependences of the electronic structure of the CuO6-octahedra layer within LDA+GTB method in the frameworks of six-band p-d model are calculated. Band structure and Fermi surface of the quasiparticle excitations in the…
Over the last years, superconductivity has been discovered in several families of iron-based compounds. Despite intense research, even basic electronic properties of these materials, such as Fermi surfaces, effective electron masses, or…
B-gallium oxide (B-Ga2O3) is of high interest for power electronics because of its unique combination of melt growth, epitaxial growth, n-type dopability, ultrawide bandgap, and high critical field. Optimization of crystal growth processes…
The fate of the Fermi surface in bulk electron-doped Sr$_{2}$IrO$_{4}$ remains elusive, as does the origin and extension of its pseudogap phase. Here, we use high-resolution angle-resolved photoelectron spectroscopy (ARPES) to investigate…
In this paper a mean-field theory for the spin-liquid paramagnetic non-superconducting phase of the p- and n-type High-$T_c$ cuprates is developed. This theory applied to the effective $t-t'-t''-J^*$ model with the {\it ab initio}…
Calcium oxide (CaO) is a promising host for quantum defects because of its ultrawide band gap and potential for long spin coherence times. Using hybrid functional calculations, we investigate the intrinsic point defects and how they limit…
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…
Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…
Electron doping is an excellent tuning knob to explore different phases of matter in two-dimensional (2D) materials. For example, tuning the Fermi level at a van Hove singularity in twisted bilayer graphene can enhance electron-electron…
Nb3O2(OH) has emerged as a highly attractive photocatalyst based on its chemical stability, energetic band positions, and large active lattice sites. Compared to other various photocatalytic semiconductors, it can be synthesized easily.…
Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…
High magnetic fields have revealed a surprisingly small Fermi-surface in underdoped cuprates, possibly resulting from Fermi-surface reconstruction due to an order parameter that breaks translational symmetry of the crystal lattice. A…
Ferroelectric hafnia (HfO2) holds promise for next-generation memory and logic applications because of its CMOS compatibility. However, the high coercive field required for polarization switching in HfO2 remains a critical challenge for…
In a recent paper, Kiritsis and Li presented a holographic model to study the competition between different orders at finite doping in holographic superconductors. In the present work, we introduce fermions into such model and study the…
Fluorite oxides such as HfO$_2$ exhibit rich and tunable phase behavior, making them promising candidates for next generation electronic devices. A key challenge is to design amorphous HfO$_2$-based high-$k$ materials with both structural…
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…
Effects of electron correlation on the Fermi surface is investigated for the two-dimensional Hubbard model by the quantum Monte Carlo method. At first, an infinitesimal doping from the half filling is focused on and the momentum dependent…
Lightly-doped La$_{2-x}$Sr$_x$CuO$_4$ in the so-called "insulating" spin-glass/diagonal-stripe phase has been studied by angle-resolved photoemission spectroscopy. A quasi-particle (QP) peak crossing the Fermi level has been observed in the…
Doping is a common route to reducing nanowire transistor on-resistance but has limits. High doping level gives significant loss in gate performance and ultimately complete gate failure. We show that electrolyte gating remains effective even…
To understand the link between doping and electronic properties in high temperature superconductors, we report first-principles calculations on the oxygen doping effect for the single layer cuprate HgBa$_2$CuO$_{4+\delta}$. The doping…