Related papers: Easily doped p-type, low hole effective mass, tran…
Recent advances in the characterization of hexagonal-diamond silicon (2H-Si) have shown that this material possesses remarkably different structural, electronic, and optical properties as compared to the common cubic-diamond (3C) polytype.…
As a newly identified single-crystalline van der Waals dielectric with a high dielectric constant, Bi2SeO5 plays a pivotal role in advancing 2D electronic devices. In this work, we systematically investigate the defect properties of Bi2SeO5…
The 3D ternary Li$_2$GeO$_3$ compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The…
Despite widespread interest, ultrathin and highly flexible light-emitting devices that can be seamlessly integrated and used for flexible displays, wearables, and as bioimplants remain elusive. Organic light-emitting diodes (OLEDs) with…
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 report on the first demonstration of p-type doping in large area few-layer films of (0001)-oriented chemical vapor deposited (CVD) MoS2. Niobium was found to act as an efficient acceptor up to relatively high density in MoS2 films. For a…
New electrode materials for alkaline-ion batteries are a timely topic. Among many promising candidates, V2O5 is one of the most interesting cathode materials. While having very high theoretical capacity, in practice, its performance is…
In the present study, the structural, electronic, optical and thermoelectric properties of two isostructural chalcogenide materials, NaInS2 and NaInSe2 with hexagonal symmetry (R-3m) have been studied using the first principles method. A…
Layered tin monoxide (SnO) offers an exciting two-dimensional (2D) semiconducting system with great technological potential for next-generation electronics and photocatalytic applications. Using a combination of first-principles simulations…
Two-dimensional election gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. The challenge is to find a material system…
In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…
The electronic properties of single- and multi-cation transparent conducting oxides (TCOs) are investigated using first-principles density functional approach. A detailed comparison of the electronic band structure of stoichiometric and…
Doping problems in GaN and in AlGaN alloys are addressed on the basis of state-of-the-art first-principles calculations. For n-type doping we find that nitrogen vacancies are too high in energy to be incorporated during growth, but silicon…
We report a strategy to induce superconductivity in the BiS$_2$-based compound LaOBiS$_2$. Instead of substituting F for O, we increase the charge-carrier density (electron dope) via substitution of tetravalent Th$^{+4}$, Hf$^{+4}$,…
Partial substitution of Fe by Ta in the hole-doped La0.5Sr0.5FeO3 decreases the electric conductivity by up to three orders of magnitude. This decrease is in immediate correlation with a decrease of the electron hole concentration and a…
We present a novel transparent conductive support structure for two-dimensional (2D) materials that provides an electronically passive 2D/3D interface while also enabling facile interfacial charge transport. This structure, which comprises…
We prepared polycrystalline samples of R$_2$PdO$_4$ (R = La, Nd, Sm and Gd) using a NaCl-flux technique. The measured resistivity is of the order of 10$^3-10^4$ $\Omega$cm at room temperature, which is two orders of magnitude smaller than…
We present research results on the electronic transport in heterostructures based on p-type nickel oxide (NiO) with the n-type oxide semiconductors zinc oxide (ZnO) and cadmium oxide (CdO). NiO is a desirable candidate for application in…
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…
We report on the successful synthesis of highly conductive PdCoO2 ultrathin films on Al2O3 (0001) by pulsed laser deposition. The thin films grow along the c-axis of the layered delafossite structure of PdCoO2, corresponding to the…