Impact of [110]/(001) uniaxial stress on valence band structure and hole effective mass of silicon

The valence band structure and hole effective mass of silicon under a uniaxial stress in(001) surface along the[110]direction were detailedly investigated in the framework of the k·p theory.The results demonstrated that the splitting energy between the top band and the second band for uniaxial compressive stress is bigger than that of the tensile one at the same stress magnitude,and of all common used crystallographic direction,such as[110], [001],[110]and[100],the effective mass for the top band along[110]crystallographic direction is lower under uniaxial compressive stress compared with other stresses and crystallographic directions configurations.In view of suppressing the scattering and reducing the effective mass,the[110]crystallographic direction is most favorable to be used as transport direction of the charge carrier to enhancement mobility when a uniaxial compressive stress along[110]direction is applied.The obtained results can provide a theory reference for the design and the selective of optimum stress and crystallorgraphic direction configuration of uniaxial strained silicon devices.     

单轴附加应变对体硅及应变硅p-MOSFETs空穴迁移率的影响

Hole mobility changes under uniaxial and combinational stress in different directions are characterized and analyzed by applying additive mechanical uniaxial stress to bulk Si and SiGe-virtual-substrate-induced strained- Si（s-Si）p-MOSFETs（metal-oxide-semiconductor field-effect transistors）along 110 and 100 channel directions. In bulk Si,a mobility enhancement peak is found under uniaxial compressive strain in the low vertical field.The combination of 100 direction uniaxial tensile strain and substrate-induced biaxial tensile strain provides a higher mobility relative to the 110 direction,opposite to the situation in bulk Si.But the combinational strain experiences a gain loss at high field,which means that uniaxial compressive strain may still be a better choice.The mobility enhancement of SiGe-induced strained p-MOSFETs along the 110 direction under additive uniaxial tension is explained by the competition between biaxial and shear stress.     

First-principle high-throughput calculations of carrier effective masses of two-dimensional transition metal dichalcogenides

Two-dimensional group-VIB transition metal dichalcogenides (with the formula of MX2) emerge as a family of intensely investigated semiconductors that are promising for both electronic (because of their reasonable carrier mobility) and optoelectronic (because of their direct band gap at monolayer thickness) applications.Effective mass is a crucial physical quantity determining carriers transport,and thus the performance of these applications.Here we present based on first-principles high-throughput calculations a computational study of carrier effective masses of the two-dimensional MX2 materials.Both electron and hole effective masses of different MX2 (M =Mo,W and X =S,Se,Te),including in-layer/out-of-layer components,thickness dependence,and magnitude variation in heterostructures,are systemically calculated.The numerical results,chemical trends,and the insights gained provide useful guidance for understanding the key factors controlling carrier effective masses in the MX2 system and further engineering the mass values to improve device performance.     

Effects of carrier mobility, energy gap, and excitation size on the performance of single layer organic solar cells

A model of universal single layer organic solar cells in metal-insulator-metal （MIM） representation involving field-depen- dent carrier mobility is set up. The current-voltage characteristics as well as the distribution of electron density, hole density and recombination rate on a set of parameters are simulated. Subsequently, the dependences of the short-circuit current density （Jsc） and open-circuit voltage （Voc） on the electron and hole zero-field mobility, excitation generation rate, energy gap, as well as electron-hole pair distance in an excitation are investigated. It is demonstrated that the enhancement of either the electron mobility or the hole mobility can contribute to the increase of Jsc in the devices. The increase of the hole mobility can lead to the improvement of both Jsc and Voc, and the simultaneous increase of the electron mobility and hole mobility will greatly elevate Jsc but maintain a steady Voc. Additionally, all the increases of the excitation generation rate, energy gap and electron-hole pair distance are beneficial to both the remarkable increases of Jsc and Voc of the devices.     

Research on the properties of ZnO1-xSx thin films modified by sulfur doping for CIGS solar cells

ZnO1-xSx thin films modified by sulfur doping were prepared on glass substrates by chemical bath deposition (CBD) for studying the effect of thiourea concentration on the thin film properties. The obtained ZnO1-xSx thin films were characterized by scanning electron microscopy (SEM), which shows the surfaces of ZnO1-xSx thin films deposited under the thiourea concentration of 0.14 M are more compact. X-ray diffraction (XRD) measurement shows that the ZnO1-xSx thin films with hexagonal crystal structure had strong diffraction peaks and better crystallinity. The optical transmittance of the ZnO1-xSx thin films with 0.14 M thiourea concentration is above 80% in the wavelength range of 300—900 nm. According to the measurement results from spectrophotometer, the ZnO1-xSx band gap energy value Eg varies nonlinearly with different S/(S+O) ratio x, and increases with the increase of x. There is a band gap value of 2.97 eV in the ZnO1-xSx thin films deposited under 0.14 M thiourea concentration. Therefore, the thin films have better structural, optical and electric properties, and are more suitable for the buffer layers of copper indium gallium selenide (CIGS) thin film solar cells.     

Effects of carrier mobility,energy gap,and excitation size on the performance of single layer organic solar cells

A model of universal single layer organic solar cells in metal-insulator-metal (MIM) representation involving field-depen-dent carrier mobility is set up. The current-voltage characteristics as well as the distribution of electron density,hole density and recombination rate on a set of parameters are simulated. Subsequently,the dependences of the short-circuit current density (Jsc) and open-circuit voltage (Voc) on the electron and hole zero-field mobility,excitation generation rate,energy gap,as well as electron-hole pair distance in an excitation are investigated. It is demonstrated that the enhancement of either the electron mobility or the hole mobility can contribute to the increase of Jsc in the devices. The increase of the hole mobility can lead to the improvement of both Jsc and Voc,and the simultaneous increase of the electron mobility and hole mobility will greatly elevate Jsc but maintain a steady Voc. Additionally,all the increases of the excitation generation rate,energy gap and electron-hole pair distance are beneficial to both the remarkable increases of Jsc and Voc of the devices.     

Optical Constants and Structure of ZnO Films by Radio Frequency Magnetron Sputtering

ZnO films are deposited on glass slides by radio frequency（RF） magnetron sputtering under different powers. The polycrystal structures and surface morphologies of the film are investigated. The optical transmission spectra for the ZnO films are measured within the range from 300 nm to 800 nm. The optical constants and thickness of the films are determined using a nonlinear programming method suggested by Birgin et al. The band gap of the film increases with reducing the nano-size of the film grains. The packing density of the films can be improved by reducing the RF power.     

压力下应变闪锌矿(111)取向GaN/AlGaN异质结中界面极化子的温度效应

The properties of interface polarons in a strained （111）-oriented zinc-blende GaN/AlxGa1-xN heterojunction at finite temperature under hydrostatic pressure are investigated by adopting a modified LLP variational method and a simplified coherent potential approximation. Considering the effect of hydrostatic pressure on the bulk longitudinal optical phonon mode, two branches interface-optical phonon modes and strain, respectively, we calculated the polaronic self-trapping energy and effective mass as functions of temperature, pressure and areal electron density. The numerical result shows that both of them near linearly increase with pressure but the self-trapping energies are nonlinear monotone increasing with increasing of the areal electron density. They are near constants below a range of temperature whereas decrease dramatically with increasing temperature beyond the range. The contributions from the bulk longitudinal optical phonon mode and one branch of interface optical phonon mode with higher frequency are important whereas the contribution from another branch of interface optical phonon mode with lower frequency is extremely small so that it can be neglected in the further discussion.     

应变Si/(101)Si1-xGex的谷间声子散射机制

Inter valley scattering has a great impact on carrier mobility of strained Si materials,so based on Fermi’s golden rule and the theory of Boltzmann collision term approximation,inter valley phonon scattering mechanism of electrons in nano scale strained Si（101） materials is established under the influence of both energy and stress. It shows that inter valley phonon f₂,f₃,g₃ scattering rates decrease markedly in nano scale strained Si（101） materials with increasing stress.The quantized models can provide valuable references to the understanding of strained Si materials and the research on electron carrier mobility.     

The calculation of band gap energy in zinc oxide films

We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 ℃. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures in a cost-effective way. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.     

Temperature dependence of InAs/GaAs quantum dots solar photovoltaic devices

This paper presents the temperature dependence measurements characterisation of several InAs/GaAs quantum dots （QDs） solar cell devices. The devices with cylindrical geometry were fabricated and characterised on-wafer under 20 suns in a temperature range from 300°K to 430°K. The temperature dependence parameters such as open circuit voltage, short circuit density current, fill factor and efficiency are studied in detail. The increase of temperature produces an enhancement of the short circuit current. However, the open circuit voltage is degraded because the temperature increases the recombination phenomena involved, as well as reducing the effective band gap of the semiconductor.     

Synthesis and characterization of ball milled Fe-doped ZnO diluted magnetic semiconductor

Fe-doped ZnO (Zn0.99Fe0.01O) powders are successfully prepared by ball milling with different milling time, and are inves- tigated using X-ray diffraction (XRD), scanning electron microscope (SEM), ultraviolet-visible (UV-VIS) spectroscopy, vibrating sample magnetometer (VSM) and electron paramagnetic resonance (EPR) spectroscopy. The structural analysis using XRD reveals that the Fe-doped ZnO milled at different milling time can crystallize in a wurtzite structure, and in the XRD patterns, the secondary phase related to Fe cluster with the sensitivity of the XRD instrument can not be found. The SEM image of the sample milled for 24 h shows the presence of spherical nanoparticles. From the optical analysis, the optical band gap is found to decrease with increasing the milling time, which indicates the incorporation of Fe2+ ions into the ZnO lattice. The magnetization measurement using VSM reveals that the nanoparticles exhibit ferromagnetic behavior at room temperature, and the magnetization increases gradually with increasing the milling time. The conclusion is further confirmed by the electron paramagnetic resonance of the nanoparticles examined at room temperature, which shows an intense and broad ferromagnetic resonance signal related to Fe ions.     

First-principles study of p-type ZnO by S-Na co-doping

Using the first-principles method based on the density functional theory, the formation energy, electronic structures of S-Na co-doping in ZnO were calculated. The calculated results show that Na_Zn-S_O have smaller formation energy than Na_in-S_O in energy ranges from -3.10 to 0 eV of μ_O, indicating that it opens up a new opportunity for growth the p-type ZnO. The band structure shows that the Na_Zn system is a p-type direct-band-gap semiconductor material and the calculated band gap (0.84 eV) is larger than pure ZnO (0.74 eV). The Na_Zn-S_O system is also a p-type semiconductor material with a direct band gap (0.80 eV). The influence of S-Na co-doping in ZnO on p-type conductivity is also discussed. The effective masses of Na_Zn-S_O are larger than effective masses of Na_Zn and the Na_Zn-S_O have more hole carriers than Na_Zn, meaning the hole in the Na_Zn-S_O system may have a better carrier transfer character. So we inferred that Na_Zn-S_O should be a candidate of p-type conduction.     

Effect of pH value on photoluminescence properties of Eu3+/ Tb3+ co-doped ZnO

In this work, we studied the effect of different pH values on morphology, band gap and photoluminescence (PL) properties of Eu3+/Tb3+ co-doped ZnO prepared by coprecipitation method. Experimental results show that alkaline condition is more favorable for the doping of Eu3+ and Tb3+ ions which reduce the band gap and increases the PL intensity of UV emission (385 nm) and visible emission (400—600 nm) of ZnO. Gaussian deconvolution PL spectra show that the defects on the surface of ZnO are decreased when it is synthesized under alkaline conditions. Furthermore, both the intrinsic orange emission of Eu3+ ions (611 nm) and the intrinsic green emission of the Tb3+ ions (495 nm) of ZnO in this case are obtained at the same time. High intensity green and orange emission indicates that Eu3+/Tb3+ co-doped ZnO is a promising PL material and has potential in emission devices.     

Effective mass of the ground state of the strong-coupling exciton in a quantum well

The properties of the effective mass of the ground state of the exciton, for which the electron (hole) is strongly coupled with interface-optical (IO) phonons but weakly coupled with bulk-longitudinal-optical (LO) phonons in a quantum well, are studied by means of Tokuda’s improved linear combination operator and a modified second Lee-Low-Pines transformation method. The results indicate that the contributions of the interaction between the electron (hole) and the different phonon branches to the effective ...     

Effects of defects on the electronic properties of WTe2 armchair nanoribbons

We have investigated the electronic properties of WTe2 armchair nanoribbons with defects.WTe2 nanoribbons can be categorized depending on the edge structure in two types:armchair and zigzag.WTe2 in its bulk form has an indirect band gap but nanoribbons and nanosheets of WTe2 have direct band gaps.Interestingly,the zigzag nanoribbon is metallic while the armchair nanoribbons are semiconducting.Thus they can find applications in device fabrication.Therefore,it is very important to study the effect of defects on the electronic properties of the armchair nanoribbons as these defects can impair the device properties and characteristics.We have considered defects such as:vacancy,rough edge,wrap,ripple and twist in this work.We report the band gap variation with these defects.We have also studied the change in band gap and total energy with varying degrees of wrap,ripple and twist.     

The Bipolar Field-Effect Transistor: VII. The Unipolar Current Mode for Analog-RF Operation (Two-MOS-Gates on Pure-Base)

This paper reports the DC steady-state current-voltage and conductance-voltage characteristics of a Bipolar Field-Effect Transistor （BiFET） under the unipolar （electron） current mode of operation, with bipolar （electron and hole） charge distributions considered. The model BiFET example presented has two MOS-gates on the two surfaces of a thin pure silicon base layer with electron and hole contacts on both edges of the thin base. The hole contacts on both edges of the thin pure base layer are grounded to give zero hole current. This 1-transistor analog-RF Basic Building Block nMOS amplifier circuit, operated in the unipolar current mode, complements the 1-transistor digital Basic Build Block CMOS voltage inverter circuit, operated in the bipolar-current mode just presented by us.     

Low substrate temperature deposition of transparent and conducting ZnO: Al thin films by RF magnetron sputtering

Transparent and conducting Al-doped ZnO(ZnO:Al) films were prepared on glass substrate using the RF sputtering method at different substrate temperatures from room temperature(RT) to 200 ℃. The structural,morphological, electrical and optical properties of these films were investigated using a variety of characterization techniques such as low angle XRD, Raman spectroscopy, X-ray photoelectron spectroscopy(XPS), field-emission scanning electron microscopy(FE-SEM), Hall measurement and UV–visible spectroscopy. The electrical properties showed that films deposited at RT have the lowest resistivity and it increases with an increase in the substrate temperature whereas carrier mobility and concentration decrease with an increase in substrate temperature. Low angle XRD and Raman spectroscopy analysis reavealed that films are highly crystalline with a hexagonal wurtzite structure and a preferred orientation along the c-axis. The FE-SEM analysis showed that the surface morphology of films is strongly dependent on the substrate temperature. The band gap decreases from 3.36 to 3.29 e V as the substrate temperature is increased from RT to 200 ℃. The fundamental absorption edge in the UV region shifts towards a longer wavelength with an increase in substrate temperature and be attributed to the Burstein-Moss shift. The synthesized films showed an average transmission(> 85%) in the visible region, which signifies that synthesized ZnO:Al films can be suitable for display devices and solar cells as transparent electrodes.     

晶体管电流增益的表达式修正及电流增益在可靠性评估中的应用

Considering the impacts of ideal factor n, VBE and band gap changes with the temperature on current gain, the current gain expression has been corrected to make the results closer to the actual test. Besides, the accelerating lifetime study method in the constant temperature-humidity stress is used to estimate the reliability of the same batch transistors. Applying the revised findings from the expression, the current gains before and after the test are compared and analyzed, and, according to the degradation data of the current gain, the transistor lifetimes in the test stress are respectively extrapolated in the different failure criteria.     

First principle studies of structural, elastic, electronic and optical properties of Zn-chalcogenides under pressureMuhammad Bilala, M. Shafiqa, Iftikhar Ahmada, Imad Khana,*

Structural, elastic, electronic and optical properties ofzinc-chalcogenides （viz. ZnX, X = S, Se and Te） are studied in zinc-blende structure under hydrostatic pressure using the full-potential linearized augmented plane wave method. Generalized gradient approximation is used for exchange correlation potentials. Pressure-dependent lattice constants and bulk moduli are obtained using the optimization method. Young＇s modulus, Poisson＇s ratio, internal strain parameter and anisotropy are also calculated. The higher values of Young＇s modulus in comparison to the bulk modulus show that these materials are hard to break. Poisson＇s ratio is computed for the first time for these materials to the best of our knowledge and its values show higher ionic contribution in these materials. Modified Becke and Johnson （mBJ） method is used to study band gaps, density of states, dielectric function and refractive index. Electronic study shows direct band gaps convert to indirect band gaps with increasing pressure in the case of ZnS and ZnTe. We compared our results with other theoretical and experimental results. Our results are far better than other theoretical results because mBJ is the best technique to treat Ⅱ-Ⅵ semiconductors.