Recently the point defect responsible for the intra-3$d$ luminescence of cobalt in doped ZnO samples has been indentified\,\cite{pssb2019}. In this work we further extend our investigation to other point defects in Co-doped ZnO. We use density-functional theory and GW calculations to determined the orbital-resolved band structure of cobalt doped zinc oxide (ZnO).
We show that mainly O-p and Co-d orbitals take part in the process and confirm that an oxygen interstitial nearby a cobalt atom is a likely defect to occur in Co-implanted ZnO samples. We also rule out that other common point defects in ZnO can be responsible for the observed intra-3$d$ transition. Finally, we suggest that defect complexes involving oxygen interstitials could be used to promote ferromagnetism in cobalt doped ZnO samples.
We report room temperature ferromagnetism in as-implanted Eu doped ZnO (ZnO:Eu). To address the origin of ferromagnetism ab initio calculations of ZnO:Eu system are performed. Results show that the ferromagnetism is induced by ZnO point defects as Eu ions in perfect ZnO tend to align antiferromagnetically.
Cobalt-doped ZnO (Co2+:ZnO) films were studied by magnetic circular dichroism (MCD) spectroscopy. A broad 300 K ferromagnetic MCD signal was observed between 1.4 and 4.0 eV after introducing shallow donor states by exposure of paramagnetic Co2+:ZnO films to zinc vapor. The new sub-bandgap ferromagnetic MCD intensity is attributed to low-energy photoionization transitions originating from a spin-split donor impurity band in ferromagnetic Co2+:ZnO.
Preliminary results on the properties of transition-metal (Ti, V, Cr, Mn, Fe, Co, Ni) $δ$-doped ZnO are reported. Using \emph{ab-initio} electronic structure calculations the magnetic order is studied assuming both the cubic rock-salt and zinc-blende structures for ZnO. The ground state magnetic order is found to depend strongly on the transition-metal atom.
We report a surfactant assisted synthesis of Mn doped ZnO polycrystalline samples showing robust room temperature ferromagnetism as characterized by X-ray diffraction analysis, Transmission Electron Microscopy, Electron Paramagnetic Resonance and DC magnetization mearurements. This surfactant assisted synthesis method, developed by us, is found to be highly reproducible. Further, it can also be extended to the synthesis of other transition metal doped ZnO.
The hydrogen interstitial and the substitutional Al_Zn, Ga_Zn and In_Zn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
In this study, we report the enhancement in field emission (FE) properties of ZnO nanostructure by Ni doping at the base pressure of ~1 x 10-8 mbar, which were grown by the simple wet chemical process. ZnO nanostructure shows single crystalline wurtzite structure up to Ni 10% doping. FESEM represents change in the nanostructure morphology from thick nanoneedles to nanoflakes via thin nanorods with increase in Ni doped ZnO. The turn-on field required to draw a field emission (FE) current density at 1μA/cm2 is found to be 2.5, 2.3, 1.8 and 1.7 V/μm for ZnO(Ni0%), ZnO(Ni5%), ZnO(Ni7.5%) and ZnO(N…
The effect of applying an external electric field on doping-induced spin-orbit splitting of the lowest conduction-band states in a bismuth-doped zinc oxide nanowire is studied by performing electronic structure calculations within the framework of density functional theory. It is demonstrated that spin splitting in Bi-doped ZnO nanowires could be tuned and enhanced electrically via control of the strength and direction of the applied electric field, thanks to the nonuniform and anisotropic response of the ZnO:Bi nanowire to external electric fields. The results reported here indicate that a si…
Cu doped transparent ZnO thin films were spin coated on conductive glass substrates. The samples were subsequently annealed in air for 1 hour at 500 0C in order to form the phase of ZnO. ZnO samples were doped with different Cu molar percentages up to 5%. The impedance and photovoltaic properties of sample were measured. Photocurrent and photovoltage of doped and undoped samples were measured in KI/I2 electrolyte. Adding a trace amount of Cu improved the conducting properties of ZnO samples without changing other basic properties of ZnO. The photocurrent gradually increases with the doping con…
We report magnetism in carbon doped ZnO. Our first-principles calculations based on density functional theory predicted that carbon substitution for oxygen in ZnO results in a magnetic moment of 1.78 $μ_B$ per carbon. The theoretical prediction was confirmed experimentally. C-doped ZnO films deposited by pulsed laser deposition with various carbon concentrations showed ferromagnetism with Curie temperatures higher than 400 K, and the measured magnetic moment based on the content of carbide in the films ($1.5 - 3.0 μ_B$ per carbon) is in agreement with the theoretical prediction. The magnetism …
We investigated the optical and optoelectronic properties of vertically aligned Al:ZnO nanorod arrays synthesized by the hydrothermal technique at a considerably low temperature on a sputtered Al-ZnO seed layer. The nanorod arrays maintained remarkable alignment along the c-axis over a large area. The seed layers and nanorod arrays showed various optical band gaps. Investigation of the optoelectronic properties of nanorod arrays on
We have investigated the magnetic properties of non-doped ZnO nanostructures by using {\it ab initio} total energy calculations. Contrary to many proposals that ferromagnetism in non-doped semiconductors should be induced by intrinsic point defects, we show that ferromagnetism in nanostructured materials should be mediated by extended defects such as surfaces and grain boundaries. This kind of defects create delocalized, spin polarized states that should be able to warrant long-range magnetic interactions.
A novel sol-gel route to c-axis orientated undoped and Co, Fe, Mn and V doped ZnO films is reported. Sols were prepared from a hydrated zinc acetate precursor and dimethyl formamide (DMF) solvent. Films were spin-coated on to hydrophilic sapphire substrates then dried, annealed and post-annealed, producing almost purely uniaxial ZnO crystallites and a high degree of long-range structural order. Specific orientation of hexagonal crystallites is demonstrated both perpendicular and parallel to the substrate surface. Cobalt doping resulted in the formation of columnar ZnO nanocrystals. Vanadium do…
The formation energies and electronic structure of europium doped zinc oxide has been determined using DFT and many-body $GW$ methods. In the absence of intrisic defects we find that the europium-$f$ states are located in the ZnO band gap with europium possessing a formal charge of 2+. On the other hand, the presence of intrinsic defects in ZnO allows intraband $f-f$ transitions otherwise forbidden in atomic europium. This result coorroborates with recently observed photoluminescence in the visible red region [1].
Following the theoretical predictions of ferromagnetism in Mn- and Co-doped ZnO, several workers reported ferromagnetism in thin films as well as in bulk samples of these materials. While some observe room-temperature ferromagnetism, others find magnetization at low temperatures. Some of the reports, however, cast considerable doubt on the magnetism of Mn- and Co-doped ZnO. In order to conclusively establish the properties of Mn- and Co-doped ZnO, samples with 6 percent and 2 percent dopant concentrations, have been prepared by the low-temperature decomposition of acetate solid solutions. The …
We have developed a simple, surfactant assisted synthesis route for the preparation, in gram quantities, of Co and Li doped ZnO nanocrystalline samples showing robust room temperature ferromagnetism. Our studies show that RTF is intrinsic to Zn0.85Co0.05Li0.10O and not due to any segregated secondary phases. In addition, it has been shown that the defects play an important role in activating RTF in these oxide systems. This also provide an explanation for the widely varying results observed in the literature. The method can also be extended for the synthesis of other transition metal doped ZnO…
Structural and magnetic properties have been studied for polycrystalline Zn_1-xMn_xO (x=0.02, 0.03, 0.05). Low-temperature (~500 oC) synthesis leaves unreacted starting ZnO and manganese oxides. Contrary to a recent report, no bulk ferromagnetism was observed for single-phase materials synthesized in air at temperatures above 900 oC. Single-phase samples show paramagnetic Curie-Weiss behavior.
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 (Pi) is amphoteric. Under equilibrium conditions, these defects contribute little to the p-type conductivity of ZnO samples since the formation energy of PZn is much lower than that of Pi or PO when EF is below mid-gap (a prerequisite p-type condition). Zinc vacancies (VZn) and PZn-2VZn complex are demonstrated to be shallow acceptors with ionization energies…
In this letter, the authors present a study of the energetics and magnetic interactions in Fe doped ZnO clusters by ab-initio density functional calculations. The results indicate that defects under suitable conditions can induce ferromagnetic interactions between the dopant Fe atoms whereas antiferromagnetic coupling dominates in a neutral defect-free cluster. The calculations also reveal an unusual ionic state of the dopant Fe atom residing at the surface of the cluster, a feature that is important to render the cluster ferromagnetic.
We report room temperature ferromagnetism in boron-doped ZnO both experimentally and theoretically. The single phase Zn1-xBxO films deposited under high oxygen pressure by pulsed-laser deposition show ferromagnetic behavior at room temperature. The saturation magnetization increases monotonously from 0 to 1.5 emu/cm3 with the increasing of B component x from 0 to 6.8%. The first-principles calculations based on density functional theory demonstrate that the ferromagnetism in B-doped ZnO originates from the induced magnetic moments of oxygen atoms in the nearest neighbor sites to the B-Zn vacan…
Fe-doped ZnO nanocrystals are successfully synthesized and structurally characterized by using x-ray diffraction and transmission electron microscopy. Magnetization measurements on the same system reveal a ferromagnetic to paramagnetic transition temperature > 450 K with a low-temperature transition from ferromagnetic to spin-glass state due to canting of the disordered surface spins in the nanoparticle system. Local magnetic probes like EPR and Mossbauer indicate the presence of Fe in both valence states Fe2+ and Fe3+. We argue that the presence of Fe3+ is due to the possible hole doping in t…
The magneto-transport properties of single proton-implanted ZnO and of Li(7\%)-doped ZnO microwires have been studied. The as-grown microwires were highly insulating and not magnetic. After proton implantation the Li(7\%) doped ZnO microwires showed a non monotonous behavior of the negative magneto-resistance (MR) at temperature above 150 K. This is in contrast to the monotonous NMR observed below 50 K for proton-implanted ZnO. The observed difference in the transport properties of the wires is related to the amount of stable Zn vacancies created at the near surface region by the proton implan…
We present the results of a computational study of ZnO in the presence of Co and Mn substitutional impurities. The goal of our work is to identify potential ferromagnetic ground states within the (Zn,Co)O or (Zn,Mn)O material systems that are also good candidates for piezoelectricity. We find that, in contrast to previous results, robust ferromagnetism is not obtained by substitution of Co or Mn on the Zn site, unless additional carriers (holes) are also incorporated. We propose a practical scheme for achieving such $p$-type doping in ZnO.
In transition metal doped ZnO, the energy position of dopant 3$d$ states relative to host conduction and valence bands is crucial in determining the possibilty of long range ferromagnetism. Density functional theory based estimates of the energy position of Co-3$d$ states in Co doped ZnO differ substantially depending upon the choice of exchange-correlation functional. In this work we investigate many-body $GW$ corrections on top of DFT$+U$ and hybrid-DFT groundstates to provide a theoretical benchmark for the quasiparticle energies in wurtzite ZnO:Co. Both single shot $G_0W_0$ as well as part…
The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites is ferromagnetic. The stability of the ferromagnetic coupling between Gd ions can be enhanced by appropriate electron doping into ZnO:Gd system and the room-temperature ferromagnetism can be achieved. However, for ZnO:Nd system, the ferromagnetism between Nd ions can be enhanced by appropriate holes doping into the sample. The room-temperature ferromagnetism…
Magnetic 3d-ions doped into wide-gap oxides show signatures of room temperature ferromagnetism, although their concentration is two orders of magnitude smaller than that in conventional magnets. The prototype of these exceptional materials is Co-doped ZnO, for which an explanation of the room temperature ferromagnetism is still elusive. Here we demonstrate that magnetism originates from Co2+ oxygen-vacancy pairs with a partially filled level close to the ZnO conduction band minimum. The magnetic interaction between these pairs is sufficiently long-ranged to cause percolation at moderate concen…
We use point contact Andreev reflection measurements to determine the spin polarization of the transport current in pulse laser deposited thin films of ZnO with 1% Al and with and without 2%Mn. Only films with Mn are ferromagnetic and show spin polarization of the transport current of up to 55 $\pm$ 0.5% at 4.2 K, in sharp contrast to measurements of the nonmagnetic films without Mn where the polarization is consistent with zero. Our results imply strongly that ferromagnetism in these Al doped ZnO films requires the presence of Mn.
Our predictions, based on density-functional calculations, reveal that surface doping of ZnO nanowires with Bi leads to a linear-in-$k$ splitting of the conduction-band states, through spin-orbit interaction, due to the lowering of the symmetry in the presence of the dopant. This finding implies that spin polarization of the conduction electrons in Bi-doped ZnO nanowires could be controlled with applied electric (as opposed to magnetic) fields, making them candidate materials for spin-orbitronic applications. Our findings also show that the degree of spin splitting could be tuned by adjusting …
We present a first-principles computational study of non-polar ZnO (10$\bar{1}$0) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy of adsorption of CO molecules and OH-species were determined in connection to In doping. It was…
We report thickness dependent metal insulator transition in Ga doped ZnO (Ga:ZnO) thin films grown by pulsed laser deposition technique. From the electrical transport measurements, we find that while the thinnest film exhibits a resistivity of 0.05 $Ω$-cm, lying in the insulating regime, the thickest has resistivity of $6.6\times10^{-4}Ω$-cm which shows metallic type of conduction. Our analysis reveals that the Mott's variable range hopping (VRH) model governs the insulating behavior in the thinner Ga:ZnO whereas the 2D weak localization phenomena is appropriate to explain the electron transpo…
A functionally graded Al-doped ZnO structure is presented which combines conductivity, visible transparency and light scattering with mechanical flexibility. The nano and meso-architecture, constituted by a hierarchical, large surface area, mesoporous tree-like structure evolving in a compact layer, is synthesized at room temperature and is fully compatible with plastic substrates. Light trapping capability is demonstrated by showing up to 100% improvement of light absorption of a low bandgap polymer employed as the active layer.
We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density approximation we find a coexistence of ferro- and antiferromagnetic couplings for ZnO:Co, in contrast to experiment. For ZnO:Mn both couplings are antiferromagnetic but deviate quantitatively from measurement. That points to the necessity to account better for the strong electron correlation at the transition ion site which we have done by applying the LSDA+U met…
A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce) have been investigated using density functional theory (DFT) based on the full-potential linearized augmented plane wave orbital (FP-LAPW) method, as implemented in Wien2K code. The structural parameters were calculated by PBEsol functional and in good agreement with the experimental data. The electronic (density of states, band structure) and optical (absorption coefficient, reflectivity, refraction index) properties were determined by TB-mBJ potential. The rare earth element doped ZnO have a significant impact on t…
Optical properties of ZnMnO layers grown at low temperature by Atomic Layer Deposition and Metalorganic Vapor Phase Epitaxy are discussed and compared to results obtained for ZnMnS samples. Present results suggest a double valence of Mn ions in ZnO lattice. Strong absorption, with onset at about 2.1 eV, is tentatively related to Mn 2+ to 3+ photoionization. Mechanism of emission deactivation in ZnMnO is discussed and is explained by the processes following the assumed Mn 2+ to 3+ recharging.
For a detailed study on the semiconductor to metal transition (SMT) in ZnO thin films doped with Al in the concentration range from 0.02 to 2%, we grew these films on (0001) sapphire substrates using sequential pulsed laser deposition. It was found that the Al concentration in the films increased monotonically with the ratio of ablation durations of the Alumina and ZnO targets used during the deposition. Using X-ray photo electron spectroscopy it was found that while most of the Al atoms occupy the Zn sites in the ZnO lattice, a small fraction of the Al also gets into the grain boundaries pres…
It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C2 spin=1 dimers as well as the isoelectronic N2^{2+} interact antiferromagneticallly in p-type MgO. For C-doped ZnO, however, we demonstrate using the HSE hybrid functional that a resonance of the spin-polarized C2 ppπ* states with the host conduction band results in a long-range ferromagnetic interaction. Magnetism of open-shell impurity molecules is proposed as a possible route to d0-ferroma…
The prediction of ferromagnetism at room temperature in Co-ZnO thin films has generated a large interest in the community due to the possible applications. However, the results are controversial, going from ferromagnetism to non-ferromagnetism, leading to a large debate about its origin (secondary phase, Co clusters or not). By carefully studying the micro-structure of various Co-ZnO films, we show that the Co2+ partly substitutes the ZnO wurtzite matrix without forming Co clusters. Surprisingly, the ferromagnetism nature of the films disappears as the Co content increases. In addition, our re…
Identification of complex defect has been a long-sought-after physics problem for controlling the defect population and engineering the useful properties in wide bandgap oxide semiconductors. Here we report a systematic study of (GaZn-VZn)- acceptor complex defect via zinc self-diffusion in Ga-doped ZnO isotopic heterostructures, which were conceived and prepared with delicately controlled growth conditions. The secondary ion mass spectrometry and temperature-dependent Hall-effect measurements reveal that a high density of controllable (GaZn-VZn)- is the predominant compensating defect in Ga-d…
Thin p-type Sb-doped ZnO films were grown by filtered vacuum arc deposition (FVAD), on untreated glass samples. The arc cathode was prepared by dissolving Sb into molten Zn. The deposition was performed with 200 A arc current, running for 120-240 s in 0.426 Pa oxygen pressure. The film thickness was 330-500 nm. The aotmic concentration of Sb in the films was ~1.5%, whereas the O/Zn atomic concentration ratio was ~0.7. Sb incorporation into the polycrystalline ZnO matrix was concluded from XRD analysis. The film resistivity (0.15-0.3 Ohm*m), carrier density (~10^22 m^(-3)), and carrier type, we…
Undoped and Mn doped ZnO samples with different percentage of Mn content (1 mol%, 2 mol% and 3mol%) were synthesized by a simple solvo-thermal method. We have studied the structural, chemical and optical properties of the samples by using x-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive x-ray (EDX) analysis, Fourier transform infrared (FTIR) spectroscopy and UV-VIS spectroscopy. The XRD spectra show that all the samples are hexagonal wurtzite structures. The lattice parameters calculated for the Mn doped ZnO from the XRD pattern were found to be slightly larger th…
The structure-property relation of nanostructured Al-doped ZnO thin films has been investigated in detail through a systematic variation of structure and morphology, with particular emphasis on how they affect optical and electrical properties. A variety of structures, ranging from compact polycristalline films to mesoporous, hierarchically organized cluster assemblies, are grown by Pulsed Laser Deposition at room temperature at different oxygen pressures. We investigate the dependence of functional properties on structure and morphology and show how the correlation between electrical and opti…
Neodymium doped Na2O-ZnO-TeO2 (NZT) glasses were prepared by the conventional melt quenching technique. DTA and TG were used to confirmation of glass preparation through the glass transition temperature at 447°C for the glass system. The analysis of FTIR spectra and X-ray diffraction described the nature of the samples were ionic and amorphous respectively. The optical bandgap energy was estimated using absorption spectra and found to be decreased from 2.63eV to 1.32 eV due to the increase of doping concentration. The intensity of the emission spectra was enhanced for the higher concentration …
The existence of semiconductors exhibiting long-range ferromagnetic ordering at room temperature still is controversial. One particularly important issue is the presence of secondary magnetic phases such as clusters, segregations, etc... These are often tedious to detect, leading to contradictory interpretations. We show that in our cobalt doped ZnO films grown homoepitaxially on single crystalline ZnO substrates the magnetism unambiguously stems from metallic cobalt nano-inclusions. The magnetic behavior was investigated by SQUID magnetometry, x-ray magnetic circular dichroism, and AC suscept…
Si doped ZnO thin films with Si concentrations ranging from 0.4 to 10 % have been grown by sequential pulsed laser deposition on sapphire substrates. The resistivity of the films first decreased from ~ 6.6x10-3 to 4.7x10-4 ohm-cm as the Si concentration was increased from ~ 0.4 to 2% and then it increased with further increase in Si concentration. The electron concentrations in the films were in the range from 3x1019 to 4x1020 cm-3 showing their degenerate nature. However, temperature dependent resistivity measurements in the range from 300 to 4.2 K revealed negative temperature coefficient of…
We studied structural, optical and magnetic properties of high-quality 5 and 15% Co-doped ZnO films grown by plasma-assisted molecular beam epitaxy (MBE) on (0001)-sapphire substrates. Magnetic force microscopy (MFM) and magnetic measurements with SQUID magnetometer show clear ferromagnetic behavior of the films up to room temperature whereas they are antiferromagnetic below 200 K approximately. Temperature dependence of the carrier mobility was determined using Raman line shape analysis of the longitudinal-optical-phonon-plasmon coupled modes. It shows that the microscopic mechanism for ferro…
We report here on the magnetic properties of ZnO:Mn and ZnO:Co doped nanoparticles. We have found that the ferromagnetism of ZnO:Mn can be switched on and off by consecutive low-temperature annealings in O2 and N2 respectively, while the opposite phenomenology was observed for ZnO:Co. These results suggest that different defects (presumably n-type for ZnO:Co and p-type for ZnO:Mn) are required to induce a ferromagnetic coupling in each case. We will argue that ferromagnetism is likely to be restricted to a very thin, nanometric layer, at the grain surface. These findings reveal and give insigh…
An emerging branch of electronics, the optospintronics, would be highly boosted if the control of magnetic order by light is implemented in magnetic semiconductors nanostructures being compatible with the actual technology. Here we show that the ferromagnetic magnetization of low Fe-doped ZnO nanowires prepared by carbothermal process is enhanced under illumination up to temperatures slightly below room temperature. This enhancement is related to the existence of an oxygen vacancy V$_{\rm O}$ in the neighbouring of an antiferromagnetic superexchange Fe$^{3+}$-Fe$^{3+}$ pair. Under illumination…
We have studied the electronic structure and the magnetism of Cu-doped ZnO nanowires, which have been reported to show ferromagnetism at room temperature [G. Z. Xing ${et}$ ${al}$., Adv. Mater. {\bf 20}, 3521 (2008).], by x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). From the XPS and XAS results, we find that the Cu atoms are in the "Cu$^{3+}$" state with mixture of Cu$^{2+}$ in the bulk region ($\sim$ 100 nm), and that "Cu$^{3+}$" ions are dominant in the surface region ($\sim$ 5 nm), i.e., the surface electronic stru…
ZnO is co-doped with Na+ and Si4+ in the ratio 2:1. The ratio was intentionally chosen so that net valence state of dopant theoretically matches that of host. This is to avoid dependence in the amount of oxygen vacancies/interstitials arising out of cationic valence state of the dopant. With such a combination, modifications in structural and optical properties do not depend on excess or deficit of the dopant charge state. For lower doping, Na+ ions behave as interstitial sites which enhance strain, lattice disorder and thereby creating defects. Formation of interstitial defects leads to reduc…
Mn-doped ZnO was synthesized using a co-precipitation technique. X-ray diffraction (XRD) measurements and photoluminescence (PL) spectra show that Mn ions are doped into the lattice positions of ZnO. The modes at 202, 330, and 437 cm-1 in the Raman spectrum are assigned as 2E2 (low), E2 (high)-E2 (low), and E2 (high) modes of ZnO base, respectively. The mode at 528 cm-1 is ascribed to a local vibrational mode related to Mn. The mode at 580 cm-1 should be an intrinsic mode of ZnO and assigned to E1 longitudinal optical (LO). Its reinforcement should result from a combination of resonance at the…
Silver-doped ZnO nanoparticles were successfully fabricated at $400\,^{\circ}\mathrm{C}$ via a simple and rapid method based on short time solid state milling and calcination of precursor powders. The effect of Ag dilute doping on the structural, optical, and photocatalytic properties of ZnO nanoparticles was investigated by X-ray diffraction (XRD), UV-vis spectrophotometer and photoluminescence (PL) spectroscopy.~X-ray analysis revealed that Ag doped ZnO solidified in hexagonal wurtzite structure.~ The intensity of deep level emission was reduced with increasing silver doping in PL measuremen…
The effect of hydrogenation on magnetic properties of Zn0.85Co0.05Li0.10O nanoparticles is presented. It was found that the sample hydrided at room temperature (RT) showed weak ferromagnetism (FM) while that hydrided at 400oC showed robust ferromagnetism at room temperature. In both cases reheating the sample at 400oC in air converts it back into paramagnetic state (P) completely. The characterization of samples by X-ray and electron diffraction (ED) showed that room temperature ferromagnetism observed in the samples hydrogenated at RT is intrinsic in nature whereas that observed in the sample…
The nature of the often reported room temperature ferromagnetism in transition metal doped oxides is still a matter of huge debate. Herein we report on room temperature ferromagnetism in high quality Co-doped ZnO (Zn1-xCoxO) bulk samples synthesized via standard solid-state reaction route. Reference paramagnetic Co-doped ZnO samples with low level of structural defects are subjected to heat treatments in a reductive atmosphere in order to introduce defects in the samples in a controlled way. A detailed structural analysis is carried out in order to characterize the induced defects and their co…
We report the magnetoresistance and nonlinear Hall effect studies over a wide temperature range in pulsed laser deposited Ni0.07Zn0.93O thin film. Negative and positive contributions to magnetoresistance at high and low temperatures have been successfully modeled by the localized magnetic moment and two band conduction process involving heavy and light hole subbands, respectively. Nonlinearity in the Hall resistance also agrees well with the two channel conduction model. A negative Hall voltage has been found for T $\gte 50 K$, implying a dominant conduction mainly by electrons whereas positiv…
Recently, d0 ferromagnetic materials have been projected as one of the promising novel materials for spintronics applications. In this work, we have studied Li-doped ZnO compounds, i.e. Zn1-xLixO (x=0, 0.02, 0.04, and 0.06) samples, prepared by the solid-state reaction route method. From the study of crystal structure using X-ray diffraction (XRD) patterns, it is evident that the prepared materials have been formed in a single-phase of the hexagonal wurtzite structure. The refinement of the XRD patterns suggests that there are very small changes in the lattice parameters upon Li-incorporation …
A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HSE06) as exchange-correlation functional. It is found that the non-spinpolarized C$_\mathrm{Zn}$ impurity is under almost all conditions thermodynamically more stable than the C$_\mathrm{O}$ impurity which has a magnetic moment of $2μ_{\mathrm{B}}$, with the exception of very O-poor and C-rich conditions. This explains the experimental difficulties in sample preparation in order to realize $d^{0}$-ferromagnetism in C-…
In this work, we report the combined effect of donor (Nd) and acceptor (Li) co-doping at the Zn-site of ZnO ceramics on structural, microstructural and dielectric properties. Combining experimental observations with DFT based theoretical study, we have shown that before experimental fabrication DFT based first principles study can be used as a good indication to have prior qualitative assessment of a dielectric medium. For implementing this objective various Li and Nd co-doped ZnO ceramics have been synthesized through the conventional solid-state reaction route. Quantitative XRD analysis reve…
II-oxide and III-nitride semiconductors doped by nonmagnetic 2p light elements are investigated as potential dilute magnetic semiconductors (DMS). Based on our first-principle calculations, nitrogen doped ZnO, carbon doped ZnO, and carbon doped AlN are predicted to be ferromagnetic. The ferromagnetism of such DMS materials can be attributed to a p-d exchange-like p-p coupling interaction which is derived from the similar symmetry and wave function between the impurity (p-like t_2) and valence (p) states. We also propose a co-doping mechanism, using beryllium and nitrogen as dopants in ZnO, to …
The origin of room temperature (RT) ferromagnetism (FM) in Ni doped ZnO samples are systematically investigated through physical, optical, and magnetic properties of nanostructure, prepared by simple low-temperature wet chemical method. Reitveld refinement of X-ray diffraction pattern displays an increase in lattice parameters with strain relaxation and contraction in Zn/O occupancy ratio by means of Ni-doping. Similarly scanning electron microscope demonstrates modification in the morphology from nanorods to nanoflakes with Ni doping, suggests incorporation of Ni ions in ZnO. More interesting…
