Related papers: Point defects and p-type conductivity in Zn/1-x/Mn…
We present the studies of electrical transport and magnetic interactions in Zn_{1-x}Mn_{x}GeAs_{2} crystals with low Mn content 0 \leq x \leq 0.043. We show that the ionic-acceptor defects are mainly responsible for the strong p-type…
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 present the studies of structural, electrical, and magnetic properties of bulk Cd$_{1\textrm{-}x}$Mn$_{x}$GeAs$_{2}$ crystals with low Mn content, $x$, varying from 0 to 0.037. The studied samples have excellent crystallographic quality…
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…
Using first-principles electronic structure calculations we identify the anion vacancies in II-VI and chalcopyrite Cu-III-VI2 semiconductors as a class of intrinsic defects that can exhibit metastable behavior. Specifically, we predict…
Chemical nature of point defects, their segregation, cluster or complex formation in ZnO is an important area of investigation. In this report, 1.2 MeV Ar ion beam is used to incorporate defects in granular ZnO. Evolution of defective state…
The present article describes the size induced changes in the structural arrangement of intrinsic defects present in chemically synthesized ZnO nanoparticles of various sizes. Routine X-ray diffraction (XRD) and Transmission Electron…
Combining experimental and theoretical tools, we report that Zn vacanciesplay an important role in the electronic and optical responses of ZnS sphalerite. The defective surface of ZnS (001) single crystal prepared in ultra-highvacuum…
The properties of polycrystalline wurtzite Zn_{1-x}Mg_{x}O (0 <= x <= 0.15) have been studied, by powder X-ray diffraction, including an analysis of the X-ray line-broadening, and by luminescence, absorption, and Raman spectroscopies. We…
Zinc sulfide (ZnS) based materials are widely used in many applications. Yet, due to a lack of detailed knowledge of defect energy levels, the electrical properties and luminescence mechanisms in the materials still give rise to debate.…
Semiconductors with wide band gap (3.0 eV), high dielectric constant (> 10), good thermal dissipation, and capable of $n$- and $p$-type doping are highly desirable for high-energy power electronic devices. Recent studies indicate that $\rm…
Cubic (zinc-blende) Ga1-xMnxN layers were grown by plasma-assisted molecular beam epitaxy on GaAs (001) substrates. Some of the structures also contained cubic AlN buffer layers. Auger Electron Spectroscopy and Secondary Ion Mass…
Understanding the detailed electronic structure of deep defect states in narrow band-gap semiconductors has been a challenging problem. Recently, self-consistent ab initio calculations within density functional theory (DFT) using supercell…
Results from hybrid density functional theory calculations on the thermodynamic stability and optical properties of the Zn vacancy ($V_{\text{Zn}}$) complexed with common donor impurities in ZnO are reported. Complexing $V_{\text{Zn}}$ with…
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.…
The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood. The key difficulty in the description of the dominant…
Oxygen vacancy (VO) is a common native point defects that plays crucial roles in determining the physical and chemical properties of metal oxides such as ZnO. However, fundamental understanding of VO is still very sparse. Specifically,…
We perform an exhaustive theoretical study of the phase diagram of Cu-I binaries, focusing on Cu-poor compositions, relevant for p-type transparent conduction. We find that the interaction between neighboring Cu vacancies is the determining…
Imperfections in the crystal structure, such as point defects, can strongly modify the optical and transport properties of materials. Here, we study the effect of point defects on the optical and DC conductivities of single layers of…
Voids adjacent to both cubic (ZnS-type) and hexagonal (NiAs-type) Mn-rich nanocrystals are characterized using aberration-corrected transmission electron microscopy in annealed Ga0.995Mn0.005As magnetic semiconductor specimen grown by…