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Electronic structure calculations for Mg3N2, Mg3P2, Mg3As2 (low and high temperature modifications), Mg3Sb2, Mg3Bi2, and Ca3N2 have been performed. Mg3Sb2 is predicted to be an indirect semiconductor with the gap value of about 0.41 eV. Mg3As2 with a high temperature modification is also predicted to be a semiconductor with the gap value of about 1.1 eV, but the
valence band maximum and the conduction band minimum of Mg3Bi2 contacts at Γ which would make it a semimetal. Mg3N2, Mg3P2, and Mg3As2 (low temperature phase) are semiconductors with the direct band gaps of 1.64 eV, 1.73 eV, and 1.57 eV, respectively. Ca3N2 is a semiconductor with a gap of about 1.2 eV. 相似文献
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M. Godlewski A. Wjcik-Godowska E. Guziewicz S. Yatsunenko A. Zakrzewski Y. Dumont E. Chikoidze M.R. Phillips 《Optical Materials》2009,31(12):1768
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. 相似文献
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A simple two-step vapor phase method is presented to fabricate ZnS/ZnO hierarchical nanostructures in bulk quantities. That is ZnS nanobelts were first synthesized and then used as substrate for growth of ZnO nanorod arrays. Investigation results demonstrate that the polar surfaces of ZnS nanobelts could induce a preferred asymmetric growth of ZnO nanorods on the side surfaces. But it is believed that if the local concentration of ZnO was high enough, ZnO nanorods could also grow symmetrically on the top/bottom surface of the ZnS nanobelts. The optical property of the products was also recorded by means of photoluminescence (PL) spectroscopy. 相似文献
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K. K. Devarepally D. C. Cox A. T. Fry V. Stolojan R. J. Curry M. Munz 《Journal of Materials Science》2012,47(4):1893-1901
The semiconductor zinc oxide (ZnO) is a promising material for applications in optoelectronics, photochemistry and chemical
sensing. Furthermore, ZnO structures can be grown with a large variety of sizes and shapes. Devices with ZnO rods or wires
as their core elements can be used in solar cells, gas sensors or biosensors. In this article, an easy approach for the non-aqueous
wet chemical synthesis of ZnO structures is presented that employs the solvent trioctylamine (TOA) and the surfactant hexamethylenetetramine
(HMTA). Using the thermal decomposition method, rod-shaped structures were grown that are suitable for the fabrication of
electrical devices. A detailed study was carried out to investigate the effects of various reaction parameters on the growth
process. Both the concentration of the surfactant HMTA and the zinc precursor zincacetylacetonate (Zn(acac)2) were found to show strong effects on the resulting morphology. In addition to structural characterisation using XRD, SEM
and TEM, also optical properties of rod-shaped ZnO structures were measured. Rod-shaped structures were obtained for the following
conditions: reaction time 4 h, reaction temperature 70 °C, 1 mmol of Zn(acac)2, 4 mmol of HMTA and 25 mL of the solvent TOA. Photoluminescence and photoluminescence excitation spectroscopy of samples
grown under these conditions provided information on levels of defect states that could be critical for chemical sensing applications.
Two narrow peaks around 254 and 264 nm were found that are well above the band gap of ZnO. 相似文献
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N. Suganthi K. Pushpanathan 《Journal of Materials Science: Materials in Electronics》2016,27(10):10089-10098
Manganese (Mn2+) doped ZnS nano sized powder was prepared by co precipitation method with different concentration from 1 to 5 %. The X-ray diffraction pattern indicates that the prepared powders are in cubic structure with the crystallite sizes lie in the range of 10–12 nm. Diffuse reflectance studies enlightens that an increment in the band gap (3.38–3.55 eV) with increasing dopant. The morphology and size of the sample could be intuitively determined by field emission scanning electron microscope and it shows that ZnS and Mn doped ZnS nanoparticles are appeared as spherical shape. The replacement of Zn by Mn is confirmed by energy dispersive analysis. TEM images confirm the spherical shape of the nanoparticles and SAED images exhibit the crystalline nature and confirm the cubic nature of the synthesized samples. The prepared luminescent nanoparticles of Mn doped ZnS have emission peak at around 617 nm. The symmetry and electronic structure of the Mn doped samples are studied with electron paramagnetic resonance.The paramagnetic nature of Mn doped ZnS nano particles are validated by using vibrating sample magnetometer spectra at room temperature. Thermal analysis measurement of the samples shows that the thermal stability of Mn doped ZnS is higher than the undoped ZnS. This corroborates that ZnS:Mn doping is attributed to the removal of water and it enhanced the crystallinity. 相似文献
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Jinmei Yang Haiming Zhang Xu Wang Lingling Miao Yan Yang 《Journal of Materials Science: Materials in Electronics》2013,24(9):3430-3434
Ag/ZnO nanocomposites have been synthesized by facile hydrothermal and photodeposition method. The effect of different concentration of Ag on the luminous intensity of ZnO was studied. The morphology, structure and optical properties of Ag/ZnO were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and photoluminescence (PL), respectively. The XRD patterns show that intensities of diffraction peaks of Ag/ZnO were enhanced. The weak diffraction peak at 38.28° can be assigned to Ag2O when the concentration of Ag increased to 0.09 M. PL results demonstrate that the UV luminous intensity of ZnO was significantly influenced by the concentration of Ag. The UV luminous intensity of Ag/ZnO nanocomposites increased by 11 times as compared with undoped ZnO when the concentration of Ag was 0.03 M due to the local surface plasma resonance effect of Ag nanoparticles. 相似文献
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Arun Aravind M. K. Jayaraj Mukesh Kumar Ramesh Chandra 《Journal of Materials Science: Materials in Electronics》2013,24(1):106-112
Surfactant free ZnO and Cu doped ZnO nanorods were synthesized by hydrothermal method. The formation of ZnO:Cu nanorods were confirmed by scanning electron microscopy, X-ray diffraction and Raman analysis. Diffuse reflectance spectroscopy results shows that band gap of ZnO nanorods shifts to red with increase of Cu content. The orange-red photoluminescent emission from ZnO nanorods originates from the oxygen vacancy or ZnO interstitial related defects. ZnO:Cu nanorods showed strong ferromagnetic behavior, however at higher doping percentage of Cu the ferromagnetic behavior was suppressed and paramagnetic nature was enhanced. The presence of non-polar E 2 high and E 2 low Raman modes in nanorods indicates that Cu doping didn’t change the wurtzite structure of ZnO. 相似文献
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A simple and rapid method has been developed for the preparation of rod-like ZnO nanocrystals via ultrasonic irradiation. The as-synthesized ZnO nanocrystals were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), and selected area electron diffraction (SAED). The ZnO nanorods had an average diameter of 15-70 nm that varied from the ultrasonic operation mode. The results showed that Zn powder played an important role in the synthesis of ZnO nanorods. Through adding a sulfur source in the reaction system, ZnO/ZnS nanocables and ZnS nanotubes could be obtained with continuous ultrasonic irradiation. The formation mechanism of ZnS nanotubes could be attributed to the Kirkendall effect. 相似文献
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The cathodoluminescence (CL) properties including intensity and distribution of the band to band and defect emission of the flower-like ZnO, ZnO/ZnS core-shell and tube-like ZnS nanostructures have been investigated. It is indicated that the Ultraviolet (UV) emission at 380 nm of the flower-like ZnO nanostructures due to the band to band emission is weaker than their yellow emission at 600 nm induced by interstitial oxygen. Moreover, the UV emission of the ZnO nanorods unevenly distributes from the tip to the end. The UV emission on the tip is stronger than that of others due to the waveguide. On the contrary, the yellow emission at 600 nm is uniform. Furthermore, the UV emission of ZnO has been greatly enhanced and the yellow emission has been inhibited by the formation of ZnO/ZnS core-shell nanostructures in the sulfuration process due to the elimination of interstitial oxygen. However, the polycrystalline tube-like ZnS nanostructures shows the uniform and weak defect emission due to S vacancies. 相似文献
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S. Balamurali R. Chandramohan N. Suriyamurthy P. Parameswaran M. Karunakaran V. Dhanasekaran T. Mahalingam 《Journal of Materials Science: Materials in Electronics》2013,24(6):1782-1787
Polycrystalline Mn doped ZnO (MZO) semiconductor thin films were deposited onto glass substrates employing different number of dipping at room temperature using Successive Ionic Layers by Adsorption Reaction (SILAR) technique. The thin film deposition conditions were optimized by altering the various deposition parameters based on their structure. The structural study was carried out using X-ray diffractometer (XRD). The XRD analysis indicated that there is no change in the structure of ZnO thin films due to Mn doping. The films exhibited hexagonal wurtzite structure. The structural studies on Mn doped samples revealed that the predominant orientation is (002) lattice plane and the position of this orientation shifted toward lower angle during doping. The intensity of photoluminescence (PL) emission of ZnO is found to be augmented for Mn doped samples. The room temperature Raman spectra measurements revealed the presence of additional modes. The Vibrating Sample Magnetometer (VSM) studies show that MZO thin film has ferromagnetic properties. 相似文献
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压力可以作用于物质的晶体结构内部,影响并改变物质整体性质.为进一步探究高压对Gd掺杂ZnO试样的电子结构及磁性影响,运用金刚石对顶砧压机和Materials Studio4.4软件包中的CASTEP运算程序,完成高压实验制备工作;利用基于密度泛函理论的第一性原理计算高压作用下Gd掺杂ZnO试样内部分子的变化情况,并对G... 相似文献
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Bing Yan 《Advanced Composite Materials》2018,27(4):387-396
In this paper, we reported the preparation of ZnO/ZnS core/shell nanocomposites by sulfidation of ZnO nanostructures via a simple hydrothermal method. The precursors of bare ZnO nanoparticles and ZnO nanorods were synthesized by a surfactant-assisted hydrothermal growth. The structural, morphological, and element compositional analysis of bare ZnO nanostructures and ZnO/ZnS core/shell nanocomposites were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy, and transmission electron microscopy techniques. The XRD results indicated that the phase of bare ZnO nanoparticles and ZnO nanorods was wurtzite structure, and the phase of coated ZnS nanoparticles on the surface of bare ZnO nanostructures was sphalerite structure with the size of about 8 nm. Photoluminescence measurement was carried out, and the PL spectra of ZnO/ZnS core/shell nanocomposites revealed an enhanced UV emission and a passivated orange emission compared to that of bare ZnO nanostructures. In addition, the growth mechanism of ZnO/ZnS core/shell nanostructures through hydrothermal method was preliminarily discussed. 相似文献
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Europium doped ZnO nanopowders made by microwave hydrothermal method are investigated. As zinc oxide precursor zinc nitrate(V) hexahydrate (Zn(NO3)2·6H2O) was used. Two types of nanopowder samples are examined: as grown and annealed at 750 °C in air atmosphere. We investigate the structural, morphological and optical prosperities of europium doped ZnO. Results of scanning electron microscopy, X-ray diffraction, photo- and cathodoluminescence investigations and also CIE1961 chromaticity diagram are presented. 相似文献
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Pure ZnO:Eu3+ nanoparticles (~ 50 nm) were prepared by a solution combustion method. ZnO and Eu2O3 were used as starting materials and dissolved in nitric acid. Citric acid was used as a fuel. The reaction mixture was heated at 350 °C resulting into a rapid exothermic reaction yielding pure nanopowders. The atomic weight concentration of Eu3+ doped in ZnO was 20%. Transmission electron microscopy (TEM) was used to study the particle size and morphology. The nanopowders were characterized for phase composition using X-ray diffractrometry (XRD). Particle size distribution (PSD) analysis of ZnO: Eu3+ showed particle sizes ranging from 30 to 80 nm.The photoluminescence emission spectra of ZnO:Eu3+ nanostructures showed a strong band emission around 618 nm when excited with 515 nm wavelength. 相似文献
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P. Fermi Hilbert Inbaraj J. Joseph Prince 《Journal of Materials Science: Materials in Electronics》2018,29(2):935-943
The chemical bath deposition method has often been employed to successfully deposit pure and Mg doped ZnO thin films on a glass substrate. The impact of Mg creates a strained stress in ZnO films affecting its structural and optical properties. XRD patterns revealed that all thin films possess a polycrystalline hexagonal wurtzite structure and Mg doped ZnO thin films (002) plane peak position is shifted towards a lower angle due to Mg doping. From the SEM image, it is understood that the Mg doped ZnO thin films are uniformly coated and are seen as dense rods like pillers deposited over the film. The energy dispersive X-ray analysis confirmed the presence of Mg in doped ZnO thin films. The transmittance spectra exhibit that it is possible for Mg doping to enhance ZnO thin films. The optical energy gap of the films was assessed by applying Tauc’s law and it is observed to show an increasing tendency with an improvement in Mg doping concentrations. The optical constants such as reflectance, index of refraction, extinction coefficient and optical conductivity are determined by using transmission at normal incidence of light by using wavelength range of 200–800 nm. In PL spectra, the band edge emission shifted to the blue with increasing amount of Mg doping. 相似文献