Related papers: Native defects and their complexes in spinel LiGa5…

LiGa$_5$O$_8$ in a spinel type structure has recently been claimed to be an unintentional p-type ultra-wide-band-gap oxide semiconductor. While previous computational work did not yet identify the origin of p-type doping and in fact…

LiGa$_5$O$_8$ in the spinel type structure is investigated as a potential ultra-wide-band-gap semiconductor. The band structure is determined using the quasiparticle self-consistent $GW$ method and the optical properties are calculated at…

Hybrid functional calculations are presented for defects in LiGaO$_2$ with the fraction of non-local exchange adjusted to reproduce the recently reported exciton gap of 6.0 eV. We study how the defect transition levels of the main native…

Doping of the ultrawide band gap semicodnctor LiGaO$_2$ ($E_g=5.6$ eV) with N$_2$, NO and O$_2$ molecules placed in either Ga or Li-vacancies is studied using first-principles calculations. These molecular dopants are considered as…

The significance of p-type transparent oxide semiconductors (TOS) in the semiconductor industry is paramount, driving advancements in optoelectronic technologies for transparent electronic devices with unique properties. The recent…

The native point defects are studied in LiGaO2 using hybrid functional calculations. We find that the relative energy of formation of the cation vacancies and the cation antisite defects depends strongly on the chemical potential…

We have performed a first-principles study of the p- and n-type conductivity in CuIn$_{1-x}$Ga$_x$Se$_{2}$ due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with $x$ due…

A microscopic theory is presented for the observed electronic disorder in superconducting Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. The essential phenomenology is shown to be consistent with the existence of two types of interstitial oxygen…

The first principles calculations (GGA) have been applied to study the crystallographic defects in $\alpha$-PbO in order to understand an origin of $n$- and $p$-type conductivity in otherwise undoped $\alpha$-PbO. It was found that…

Despite the lack of reproducible experimental confirmation, group-V elements have been considered as possible sources of p-type doping in ZnO in the form of simple and complex defects. Using ab initio calculations, based on state-of-the-art…

Undesired unintentional doping and doping limits in semiconductors are typically caused by compensating defects with low formation energies. Since the formation energy of a charged defect depends linearly on the Fermi level, doping limits…

Cuprate high-temperature superconductors exhibit a pseudogap in the normal state that decreases monotonically with increasing hole doping and closes at x \approx 0.19 holes per planar CuO2 while the superconducting doping range is 0.05 < x…

The physical origin of cuprate high-temperature superconductor pseudogaps remains debatable. We point out that the indication of such excitation is hidden in the usual expression for the quasiparticle energy. It can be realized on a…

Wide-bandgap two-dimensional (2D) beta-TeO2 has been reported as a high-mobility p-type transparent semiconductor (Nat. Electron. 2021, 4, 277-283), attracting significant attention. This "breakthrough" not only challenges the conventional…

The paper compares the K-dependence of the superconducting gap in different doping ranges. The fine behavior of the leading edge gap indicates that the pairing susceptibility is peaked at special regions on the Fermi surface. These hot…

N-type doping in Si by shallow impurities, such as P, As and Sb, exhibits an intrinsic limit due to the Fermi-level pinning via defect complexes at high doping concentrations. Here we demonstrate that doping Si with the chalcogen Te by…

The characteristic features of Ca$_{10}$(Pt$_3$As$_8$)[(Fe$_{1-x}$Pt$_x$)$_2$As$_2$]$_5$ ("10-3-8") superconductor are relatively high anisotropy and a clear separation of superconductivity and structural/magnetic transitions, which allows…

A major impediment to solving the problem of high-$T_c$ superconductivity is the ongoing confusion about the magnitude, structure and doping dependence of the superconducting gap, $\Delta_0$, and of the mysterious pseudogap found in…

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 the results of Raman scattering experiments on single crystals of La(2-x)Sr(x)CuO(4) that span the range from underdoped (x = 0.10) to overdoped (x =0.22). The spectra are consistent with the existence of a strong anisotropic…