Electronic, structural, and optical properties of crystalline yttria

The electronic structure of crystalline Y2O3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom-and orbital-resolved partial DOS. effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Gamma is obtained which increases with pressure at a rate of dE(g)/dP = 0.012 eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y2O3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of epsilon(O)= 3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Gamma between the top of the valence band and the bottom of the conduction band may be symmetry forbidden.

Characterization of bulk ZnO single crystal grown by a CVT method - art. no. 68410F

Hall effect, photoluminescence spectroscopy (PL), mass spectroscopy and X-ray diffraction have been used to study bulk ZnO single crystal grown by a closed seeded chemical vapor transport method. Enhancement of n-type electrical conduction and increase of nitrogen concentration are observed of the ZnO samples after high temperature annealing. The results suggest that vacancy is dominant native defect in the ZnO material. These phenomena are explained by a generation of shallow donor defect and suppression of deep level defects in ZnO after the annealing.

Thermal test and analysis of concentrator solar cells - art. no. 684117

Under high concentration the temperature of photovoltaic solar cells is very high. It is well known that the efficiency and performance of photovoltaic solar cells decrease with the increase of temperature. So cooling is indispensable for a concentrator photovoltaic solar cell at high concentration. Usually passive cooling is widely considered in a concentrator system. However, the thermal conduction principle of concentrator solar cells under passive cooling is seldom reported. In this paper, GaInP/GaAs/Ge triple junction solar cells were fabricated using metal organic chemical vapor deposition technique. The thermal conductivity performance of monolithic concentrator GaInP/GaAs/Ge cascade solar cells under 400X concentration with a heat sink were studied by testing the surface and backside temperatures of solar cells. The tested result shows that temperature difference between both sides of the solar cells is about 1K. A theoretical model of the thermal conductivity and thermal resistance of the GaInP/GaAs/Ge triple junction solar cells was built, and the calculation temperature difference between both sides of the solar cells is about 0.724K which is consistent with the result of practical test. Combining the theoretical model and the practical testing with the upper surface temperature of tested 310K, the temperature distribution of the solar cells was researched.

Electronic structure and optical gain saturation of InAs1-xNx/GaAs quantum dots

The electronic band structures and optical gains of InAs1-xNx/GaAs pyramid quantum dots (QDs) are calculated using the ten-band k . p model and the valence force field method. The optical gains are calculated using the zero-dimensional optical gain formula with taking into consideration of both homogeneous and inhomogeneous broadenings due to the size fluctuation of quantum dots which follows a normal distribution. With the variation of QD sizes and nitrogen composition, it can be shown that the nitrogen composition and the strains can significantly affect the energy levels especially the conduction band which has repulsion interaction with nitrogen resonant state due to the band anticrossing interaction. It facilitates to achieve emission of longer wavelength (1.33 or 1.55 mu m) lasers for optical fiber communication system. For QD with higher nitrogen composition, it has longer emission wavelength and less detrimental effect of higher excited state transition, but nitrogen composition can affect the maximum gain depending on the factors of transition matrix element and the Fermi-Dirac distributions for electrons in the conduction bands and holes in the valence bands respectively. For larger QD, its maximum optical gain is greater at lower carrier density, but it is slowly surpassed by smaller QD as carrier concentration increases. Larger QD can reach its saturation gain faster, but this saturation gain is smaller than that of smaller QD. So the trade-off between longer wavelength, maximum optical, saturation gain, and differential gain must be considered to select the appropriate QD size according to the specific application requirement. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3143025]

In-Situ Boron and Aluminum Doping and Their Memory Effects in 4H-SiC Homoepitaxial Layers Grown by Hot-Wall LPCVD

The in-situ p-type doping of 4H-SiC grown on off-oriented (0001) 4H-SiC substrates was performed with trimethylaluminum (TMA) and/or diborane (B2H6) as the dopants. The incorporations of Al and B atoms and their memory effects and the electrical properties of p-type 4H-SiC epilayers were characterized by secondary ion mass spectroscopy (SIMS) and Hall effect measurements, respectively. Both Al- and B-doped 4H-SiC epilayers were p-type conduction. It was shown that the profiles of the incorporated boron and aluminum concentration were in agreement with the designed TMA and B2H6 flow rate diagrams. The maximum hole concentration for the Al doped 4H-SiC was 3.52x10(20) cm(-3) with Hall mobility of about 1 cm(2)/Vs and resistivity of 1.6 similar to 2.2x10(-2) Omega cm. The heavily boron-doped 4H-SiC samples were also obtained with B2H6 gas flow rate of 5 sccm, yielding values of 0.328 Omega cm for resistivity, 5.3x10(18) cm(-3) for hole carrier concentration, and 7 cm(2)/VS for hole mobility. The doping efficiency of Al in SiC is larger than that of B. The memory effects of Al and B were investigated in undoped 4H-SiC by using SIMS measurement after a few run of doped 4H-SiC growth. It was clearly shown that the memory effect of Al is stronger than that of B. It is suggested that p-type 4H-SiC growth should be carried out in a separate reactor, especially for Al doping, in order to avoid the join contamination on the subsequent n-type growth. 4H-SiC PiN diodes were fabricated by using heavily B doped epilayers. Preliminary results of PiN diodes with blocking voltage of 300 V and forward voltage drop of 3.0 V were obtained.

Heavily doped polycrystalline 3C-SiC growth on SiO2/Si(100) substrates for resonator applications

3C-SiC is a promising material for the development of microelectromechanical systems (MEMS) applications in harsh environments. This paper presents the LPCVD growth of heavily nitrogen doped polycrystalline 3C-SiC films on Si wafers with 2.0 mu m-thick silicon dioxide (SiO2) films for resonator applications. The growth has been performed via chemical vapor deposition using SiH4 and C2H4 precursor gases with carrier gas of H-2 in a newly developed vertical CVD chamber. NH3 was used as n-type dopant. 3C-SiC films were characterized by scanning electron microscopy (SEM), x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), secondary ion mass spectroscopy (SIMS), and room temperature Hall Effect measurements. It was shown that there is no voids at the interface between 3C-SiC and SiO2. Undoped 3C-SiC films show n-type conduction with resisitivity, Hall mobility, and carrier concentration at room temperature of about 0.56 Omega center dot cm, 54 cm(2)/Vs, and 2.0x 10(17) cm(-3), respectively. The heavily nitrogen doped polycrystalline 3C-SiC with the resisitivity of less than 10(-3) Omega center dot cm was obtained by in-situ doping. Polycrystalline SiC resonators have been fabricated preliminarily on these heavily doped SiC films with thickness of about 2 mu m. Resonant frequency of 49.1 KHz was obtained under atmospheric pressure.

Photoluminescence spectroscopy and positron annihilation spectroscopy probe of alloying and annealing effects in nonpolar m-plane ZnMgO thin films

Temperature-dependent photoluminescence characteristics of non-polar m-plane ZnO and ZnMgO alloy films grown by metal organic chemical vapor deposition have been studied. The enhancement in emission intensity caused by localized excitons in m-plane ZnMgO alloy films was directly observed and it can be further improved after annealing in nitrogen. The concentration of Zn vacancies in the films was increased by alloying with Mg, which was detected by positron annihilation spectroscopy. This result is very important to directly explain why undoped Zn1-xMgxO thin films can show p-type conduction by controlling Mg content, as discussed by Li [Appl. Phys. Lett. 91, 232115 (2007)].

Optical properties and electrical bistability of CdS nanoparticles synthesized in dodecanethiol

We reported the synthesis of CdS semiconductor nanoparticles using a simple one-pot reaction by thermolysis of cadmium acetylacetonate in dodecanethiol. Optical measurements of the as-obtained CdS nanoparticles revealed that their optical properties were closely related to surface effects. Based upon the cocktail of poly (N-vinylcarbazole) (PVK) and CdS nanoparticles, a bistable device was fabricated by a simple solution processing technique. Such a device exhibited a remarkable electrical bistability, which was attributed to the electric field-assisted charge transfer between PVK and the CdS nanoparticles capped by dodecaethiol. The conduction mechanism changed from an injection-controlled current to a bulk-controlled one during switching from OFF-state to ON-state.

Electroluminescence behavior of ZnO/Si heterojunctions: Energy band alignment and interfacial microstructure

n-ZnO/p-Si heterojunction light-emitting diodes (LEDs) show weak defect-related electroluminescence (EL). In order to analyze the origin of the weak EL, the energy band alignment and interfacial microstructure of ZnO/Si heterojunction are investigated by x-ray photoelectron spectroscopy. The valence band offset (VBO) is determined to be 3.15 +/- 0.15 eV and conduction band offset is -0.90 +/- 0.15 eV, showing a type-II band alignment. The higher VBO means a high potential barrier for holes injected from Si into ZnO, and hence, charge carrier recombination takes place mainly on the Si side rather than the ZnO layer. It is also found that a 2.1 nm thick SiOx interfacial layer is formed at the ZnO/Si interface. The unavoidable SiOx interfacial layer provides to a large number of nonradiative centers at the ZnO/Si interface and gives rise to poor crystallinity in the ZnO films. The weak EL from the n-ZnO/p-Si LEDs can be ascribed to the high ZnO/Si VBO and existence of the SiOx interfacial layer.

Valence band offset of ZnO/BaTiO3 heterojunction measured by X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset of the ZnO/BaTiO3 heterojunction grown by metal-organic chemical vapor deposition. The valence band offset (VBO) is determined to be 0.48 +/- 0.09 eV, and the conduction band offset (CBO) is deduced to be about 0.75 eV using the band gap of 3.1 eV for bulk BaTiO3. It indicates that a type-II band alignment forms at the interface, in which the valence and conduction bands of ZnO are concomitantly higher than those of BaTiO3. The accurate determination of VBO and CBO is important for use of semiconductor/ferroelectric heterojunction multifunctional devices.

Measurement of GaN/Ge(001) Heterojunction Valence Band Offset by X-Ray Photoelectron Spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset (VBO) at the GaN/Ge heterostructure interface. The VBO is directly determined to be 1.13 +/- 0.19 eV, according to the relationship between the conduction band offset Delta E-C and the valence band offset Delta E-V : Delta E-C = E-g(GaN) - E-g(Ge) - Delta E-V, and taking the room-temperature band-gaps as 3.4 and 0.67 eV for GaN and Ge, respectively. The conduction band offset is deduced to be 1.6 +/- 0.19 eV, which indicates a type-I band alignment for GaN/Ge. Accurate determination of the valence and conduction band offsets is important for the use of GaN/Ge based devices.

Valence band offset of MgO/TiO2 (rutile) heterojunction measured by X-ray photoelectron spectroscopy

The valence band offset (VBO) of MgO/TiO2 (rutile) heterojunction has been directly measured by Xray photoelectron spectroscopy. The VBO of the heterojunction is determined to be 1.6 +/- 0.3 eV and the conduction band offset (CBO) is deduced to be 3.2 +/- 0.3 eV, indicating that the heterojunction exhibits a type-I band alignment. These large values are sufficient for MgO to act as tunneling barriers in TiO2 based devices. The accurate determination of the valence and conduction band offsets is important for use of MgO as a buffer layer in TiO2 based field-effect transistors and dye-sensitized solar cells.

Measurement of w-InN/h-BN Heterojunction Band Offsets by X-Ray Photoemission Spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset (VBO) of the w-InN/h-BN heterojunction. We find that it is a type-II heterojunction with the VBO being -0.30 +/- A 0.09 eV and the corresponding conduction band offset (CBO) being 4.99 +/- A 0.09 eV. The accurate determination of VBO and CBO is important for designing the w-InN/h-BN-based electronic devices.

Self-consistent analysis of AlSb/InAs high electron mobility transistor structures

The influences of channel layer width, spacer layer width, and delta-doping density on the electron density and its distribution in the AlSb/InAs high electron mobility transistors (HEMTs) have been studied based on the self-consistent calculation of the Schrodinger and Poisson equations with both the strain and nonparabolicity effects being taken into account. The results show that, having little influence on the total two dimensional electron gas (2DEG) concentration in the channel, the HEMT's channel layer width has some influence on the electron mobility, with a channel as narrow as 100-130 angstrom being more beneficial. For the AlSb/InAs HEMT with a Te delta-doped layer, the 2DEG concentration as high as 9.1 X 10(12) cm(-2) can be achieved in the channel by enhancing the delta-doping concentration without the occurrence of the parallel conduction. When utilizing a Si delta-doped InAs layer as the electron-supplying layer of the AlSb/InAs HEMT, the effect of the InAs donor layer thickness is studied on the 2DEG concentration. To obtain a higher 2DEG concentration in the channel, it is necessary to use an InAs donor layer as thin as 4 monolayer. To test the validity of our calculation, we have compared our theoretical results (2DEG concentration and its distribution in different sub-bands of the channel) with the experimental ones done by other groups and show that our theoretical calculation is consistent with the experimental results.