相关论文: Hole conductivity through a defect band in $\rm Zn…

Advancement of optoelectronic and high-power devices is tied to the development of wide band gap materials with excellent transport properties. However, bipolar doping (n-type and p-type doping) and realizing high carrier density while…

The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…

The room temperature hole conductivity of the ultra wide bandgap semiconductor beta Ga2O3 is a pre-requisite for developing the next-generation electronic and optoelectronic devices based on this oxide. In this work, high-quality p-type…

P mono-doped and (P, N) co-doped ZnO are investigated by the first-principles calculations. It is found that substitutive P defect forms a deep acceptor level at O site (PO) and it behaves as a donor at Zn site (PZn), while interstitial P…

This study investigates the ground-state energetics and thermodynamics of intrinsic point defects in zinc phosphide Zn$_3$P$_2$ using \emph{ab initio} density functional theory combined with an extensive potential energy landscape search.…

Electrically driven light sources are essential in a wide range of applications, from indication and display technologies to high-speed data communication and quantum information processing. Wide-bandgap semiconductors promise to advance…

Possibilities of turning intrinsically n-type oxide semiconductors like ZnO and Zn$_{1-x}$Mg$_x$O into p-type materials are investigated. Motivated by recent experiments on Zn$_{1-x}$Mg$_x$O doped with nitrogen we analyze the electronic…

We report on the electronic and optical properties of two theoretically predicted stable spinel compounds of the form ZnB2O4, where B = Ni or Cu; neither compound has been previously synthesized, so we compare them to the previously studied…

A density functional study is presented of the interstitial Zn$_i$, Ge$_i$, and N$_i$ in ZnGeN$_2$. Corrections to the band gap are included by means of the LDA+U method. The Zn and Ge interstitials are both found to strongly prefer the…

Nearly all ultrawide-bandgap oxides are affected by hole localization that limits $p$-type conductivity and thus potential applications for these materials. Highly localized holes, also known as hole polarons, trap in the vicinity of…

First-principles calculations based on density functional theory have been carried out to understand the mechanism of fabricating As-doped p-type ZnO semiconductors. It has been confirmed that AsZn-2VZn complex is the most plausible…

The semiconducting oxide $\beta$-Gallium Oxide ($\beta$-Ga$_{2}$O$_{3}$) possesses a monoclinic unit cell whose low symmetry generally leads to anisotropic physical properties. For example, its electrical conductivity is generally described…

Many semiconductors present weak or forbidden transitions at their fundamental band gaps, inducing a widened region of transparency. This occurs in high-performing n-type transparent conductors (TCs) such as Sn-doped In2O3 (ITO), however…

GaN has emerged to be a major semiconductor akin to silicon due to its revolutionary impacts in solid state lighting, critically enabled by p-type doping, and high-performance radio-frequency and power electronics. Suffering from…

The effects of non-magnetic iso-valent defects inside the CuO2 plane(s) on superconducting transition temperature, Tc, dc charge transport, and the bulk magnetic susceptibility, \c{hi}(T), were investigated for the YBa2(Cu1-yZny)3O7-d…

The p-type semiconductor Cu3PSe4 has recently been established to have a direct bandgap of 1.4 eV and an optical absorption spectrum similar to GaAs [Applied Physics Letters, 99, 181903 (2011)], suggesting a possible application as a solar…

Cu$_3$SbSe$_4$ is a promising thermoelectric material due to high thermopower ($>400\ \mu$V/K) at 300K and higher. Although it has a simple crystal structure derived from zinc blende structure, previous work has shown that the physics of…

The effects of planar hole concentration, p, and magnetic field on the resistivity, rho(T), of high-quality c-axis oriented crystalline thin films and sintered Y1-xCaxBa2(Cu1-yZny)3O7-delta samples were investigated over a wide range of Ca,…

Field-effect transistors made of wide-bandgap semiconductors can operate at high voltages, temperatures and frequencies with low energy losses, and have been of increasing importance in power and high-frequency electronics. However, the…

Mechanical stability of the ZnIn2X4 monolayers. The ZnIn2S4 and ZnIn2Se4 are semiconductors with direct band gaps of 3.94 and 2.77 eV, respectively whereas the ZnIn2Te4 shows an indirect band gap of 1.84 eV at the G0W0 level. The optical…