Self-energy of cold atoms in a long-range disordered optical potential

We study the effect of correlation on the expansion of a Bose–Einstein condensate (BEC) released from a harmonic trap. We go beyond the first-order Born approximation (FBA) to use the self-consistent Born approximation (SCBA) to calculate the self-energy \(\Sigma (\varepsilon , k)\) of an atom in a speckle potential with constant amplitude of disorder. For very cold atoms (\(k= 0\)), low chemical potential \(\mu \ll \varepsilon _{\xi }\), and \(U/ \varepsilon ^{2}_{\xi } = 1\), the self-energy spectrum is wide when calculated in the SCBA compared with the FBA. The SCBA locates the band edge at somewhat higher energy, giving rise to many localized atoms. We focus mainly on the energy distribution at \(k = 0\) as expressed by the spectral function. Our numerical results show that the spectral function of the expanding atoms as calculated in the FBA at \(\varepsilon = 0\) has low weight and extends up to \(\varepsilon = 4 \varepsilon _{\xi }\). When using the SCBA, the behavior of the energy distribution for low chemical potential is different, showing a continuum, while a large weight corresponding to \(\varepsilon \) shifts the spectrum of negative energy values to \(\frac{\varepsilon }{\varepsilon _\xi } = -0.78\) and the energy distribution is near unity. We show that the form of the density of states locates the mobility near \(\varepsilon = - \varepsilon _\xi \). At \(\varepsilon = 0\), we obtain 35 % of delocalized atoms. We conclude that correlation disorder seems to help localize atoms with energy below zero. In particular, we show that the negative energy values observed in the energy spectrum imply that the probability of finding an atom with energy \(\varepsilon _\xi \) around \(\varepsilon \) is conserved.     

Analog and RF performance of doping-less tunnel FETs with $$\hbox {Si}_{0.55} \hbox {Ge}_{0.45}$$ source

This paper reports studies of a doping-less tunnel field-effect transistor (TFET) with a \(\hbox {Si}_{0.55} \hbox {Ge}_{0.45}\) source structure aimed at improving the performance of charge-plasma-based doping-less TFETs. The proposed device achieves an improved ON-state current (\(I_{{\mathrm{ON}}} \sim {4.88} \times {10}^{-5}\,{\mathrm{A}}/\upmu {\mathrm{m}}\)), an \(I_\mathrm{ON}/I_\mathrm{OFF}\) ratio of \({6.91} \times {10}^{12}\), an average subthreshold slope (\(\hbox {AV-SS}\)) of \(\sim \) \({64.79}\,{\mathrm{mV/dec}}\), and a point subthreshold slope (SS) of 14.95 mV/dec. This paper compares the analog and radio of frequency (RF) parameters of this device with those of a conventional doping-less TFET (DLTFET), including the transconductance (\(g_{{\mathrm{m}}}\)), transconductance-to-drain-current ratio \((g_\mathrm{m}/I_\mathrm{D})\), output conductance \((g_\mathrm{d})\), intrinsic gain (\(A_{{\mathrm{V}}}\)), early voltage (\(V_{{\mathrm{EA}}}\)), total gate capacitance (\( C_{{\mathrm{gg}}}\)), and unity-gain frequency (\(f_{{\mathrm{T}}}\)). Based on the simulated results, the \(\hbox {Si}_{0.55}\hbox {Ge}_{0.45}\)-source DLTFET is found to offer superior analog as well as RF performance.     

Ambipolar leakage suppression in electron–hole bilayer TFET: investigation and analysis

In this paper, we propose and simulate two new structures of electron–hole bilayer tunnel field-effect transistors (EHBTFET). The proposed devices are n-heterogate with \(\hbox {M}_{1}\) as overlap gate, \(\hbox {M}_{2}\) as underlap gate and employs a high-k dielectric pocket in the drain underlap. Proposed structure 1 employs symmetric underlaps (Lgs = Lgd = Lu). The leakage analysis of this structure shows that the lateral ambipolar leakage between channel and drain is reduced by approximately three orders, the OFF-state leakage is reduced by one order, and the \(I_{\mathrm{ON}}/I_{\mathrm{OFF}}\) ratio is increased by more than one order at \(V_\mathrm{{GS}}=V_{\mathrm{DS}} =1.0\) V as compared to the conventional Si EHBTFET. The performance is improved further by employing asymmetric underlaps (\(\hbox {Lgs}\ne \hbox {Lgd}\)) with double dielectric pockets at source and drain, called as proposed structure 2. The pocket dimensions have been optimized, and an average subthreshold swing of 17.7 mV/dec (25.5% improved) over five decades of current is achieved with an ON current of \(0.23~\upmu \hbox {A}/\upmu \hbox {m}\) (11% improved) in proposed structure 2 in comparison with the conventional EHBTFET. Further, the parasitic leakage paths between overlap/underlap interfaces are blocked and the OFF-state leakage is reduced by more than two orders. A high \(I_{\mathrm{ON}}/I_{\mathrm{OFF}}\,\hbox {ratio}~>10^{9}\) (two orders higher) is achieved at \(V_{\mathrm{DS}} =V_{\mathrm{GS}} =1.0~\hbox {V}\) in the proposed structure 2 in comparison with the conventional one.     

Investigation of trigate JLT with dual-<Emphasis Type="Italic">k</Emphasis> sidewall spacers for enhanced analog/RF FOMs

This paper shows the potential benefits of using the trigate junctionless transistor (JLT) with dual-k sidewall spacers to enhance analog/radio-frequency (RF) performance at 20-nm gate length. Simulation study shows that the source-side-only dual-k spacer (dual-kS) JLT can improve all analog/RF figures of merit (FOMs) compared with the conventional JLT structure. The dual-kS JLT shows improvement in intrinsic voltage gain (\(A_{V0}\)) by \(\sim \)44.58 %, unity-gain cutoff frequency (\(f_\mathrm{T}\)) by \(\sim \)7.67 %, and maximum oscillation frequency (\(f_\mathrm{MAX}\)) by \(\sim \)6.4 % at drain current \((I_\mathrm{ds}) = 10\,\upmu \hbox {A}/\upmu \hbox {m}\) compared with the conventional JLT structure. To justify the improvement in all analog/RF FOMs, it is also found that the dual-kS structure shows high electron velocity near the source region because of the presence of an additional electric field peak near the source region, resulting in increased electron transport efficiency and hence improved transconductance (\(g_\mathrm{m}\)). Furthermore, the dual-kS JLT shows a reduction in the electric field value near the drain end, thereby improving short-channel effects.     

Asymmetric dual-k spacer trigate FinFET for enhanced analog/RF performance

In this paper, we aim to explore the potential benefits of using source side only dual-k spacer (Dual-kS) trigate FinFET structure to improve the analog/RF figure of merit (FOM) for low power operation at 20 nm gate length. It has been observed from the results that Dual-kS (inner spacer high-k) FinFET structure improves the coupling of the gate fringe field to the underlap region towards the source side and results into improvement in transconductance \((g_{m})\) and output conductance \((g_{ds})\). It was also found that drain side only dual-k spacer (Dual-kD) improves the coupling of the gate fringe field to the underlap region towards the drain side which helps to shift away the drain field from gate edge and results into improvement in output conductance \((g_{ds})\) only at the cost of increase in Miller capacitance. A comparative simulation study has been performed on four different device structures namely both side low-k spacers (conventional), both side dual-k spacer (Dual-kB), Dual-kD and Dual-kS structures. From the simulation study, it was found that that Dual-kS structure has potential to improve \(g_{m}\) by \(\sim \)8.7 %, \(g_{ds}\) by \(\sim \)32.24 %, intrinsic gain \((A_{V0})\) by \(\sim \)11.44 %, early voltage \((V_{EA})\) by \(\sim \)47.59 %, maximum oscillation frequency (\(f_{MAX}\)) by \(\sim \)1.7 % and the ratio of gate-source capacitance and gate-drain capacitance \((C_{gs}/C_{gd})\) by \(\sim \)15.27 % with a slight reduction in the value of unity gain cut-off frequency (\(f_{T}\)) by \(\sim \)0.58 % in comparison to the conventional structure at drain current \((I_{ds})\) of \(10\,\upmu \)A/\(\upmu \)m. Furthermore, to reduce the drain field influence on the channel region, we also studied the effect of asymmetric drain extension length on Dual-kS FinFET structure.     

Delta-doped tunnel FET (D-TFET) to improve current ratio ($$I_\mathrm{ON}/I_\mathrm{OFF}$$) and ON-current performance

A two dimensional (2D) analytical drain current model has been developed for a delta-doped tunnel field-effect transistor (D-TFET) that can address the ON-current issues of the conventional TFET. Insertion of a highly doped delta layer in the source region paves the way for improved tunneling volume and thus provides high drain current as compared with TFETs. The present model takes into account the effects of the distance between the delta-doping region and the source–channel interface on the subthreshold swing (SS), current ratio, and ON-current performance. The D-TFET is predicted to have a higher current ratio \(\left( {\frac{I_\mathrm{ON} }{I_\mathrm{OFF} }\cong 10^{11}} \right) \) compared with TFETs \(\left( {\frac{I_\mathrm{ON} }{I_\mathrm{OFF} }\cong 10^{10}} \right) \) with a reasonable SS \(\left( {{\sim }52\,\mathrm{mV/dec}} \right) \) and \(V_\mathrm{th}\) performance at an optimal position of 2 nm from the channel. The surface potential, electric field, and minimum tunneling distance have been derived using the solution of the 2D Poisson equation. The accuracy of the D-TFET model is validated using the technology computer aided design (TCAD) device simulator from Synopsys.     

20-nm T-gate composite channel enhancement-mode metamorphic HEMT on GaAs substrates for future THz applications

In this paper, the RF and DC behaviours of a SiN-passivated 20-nm gate length metamorphic high electron mobility transistor (MHEMT) on GaAs substrate with \({\updelta }\)-doped sheets on either side of the composite channel are studied using the Synopsys TCAD tool. The 20-nm enhancement-mode MHEMT with \({\updelta }\)-doped sheets on either side of the \(\hbox {In}_{0.75}\hbox {Ga}_{0.25}\hbox {As}\)/InAs/ \(\hbox {In}_{0.75}\hbox {Ga}_{0.25}\hbox {As}\) multilayer channel shows a transconductance of 3000 mS/mm, cut-off frequency (\({f}_{\mathrm{T}}\)) of 760 GHz and a maximum-oscillation frequency (\({f}_{\mathrm{max}}\)) of 1270 GHz. The threshold voltage of the device is found to be 0.07 V. The room-temperature Hall mobilities of the two-dimensional sheet charge density (2DEG) are measured to be over \(12800\,\hbox {cm}^{2}\)/Vs with a sheet charge density larger than 4 \(\times \) \(10^{12}\,\hbox {cm}^{-2}\). These high-performance enhancement-mode MHEMTs are attractive candidates for future terahertz applications such as high-resolution radars for space research and also for low-noise wide-bandwidth amplifier for future communication systems.     

Spectroscopic and structural study of adsorption of benzene on silver using DFT

Lowest energy structures of benzene after adsorption on silver, investigated based on density functional theory, indicate binding interactions through the \(\pi \)-electrons. Binding energy calculations of B-\(\hbox {Ag}_{{n}}\) clusters show that B-\(\hbox {Ag}_{3}\) and B-\(\hbox {Ag}_{9}\) are more stable with the shortest C-Ag distance for B-\(\hbox {Ag}_{3}\). Natural bond orbital analysis indicates intra- and intermolecular interactions from orbital overlaps between \(\pi \)(C–C) to \(\pi \)*(C–C) and \(\pi \)(C–C) to \(\sigma \)*(Ag–Ag) orbitals. Vibrational spectra confirm the charge transfer and adsorption mechanism. Chemically reactive sites are identified through Fukui functions. Localization in the electron density and charge transfer account for enhancement in the polarization. The lower band gap of benzene after adsorption on silver suggests its potential roles in the design of organic semiconductor devices.     

Theoretical study of structural,electronic and optical properties of novel ternary alloys $$\hbox {MgO}_{1-{x}}{\hbox {Se}}_{{x}}$$ ($$x =$$x= 0.25, 0.50 and 0.75)

We report on the investigation of the structural, electronic, and optical properties of binary compounds (MgO and MgSe) and their ternary \(\hbox {MgO}_{1-{x}}\hbox {Se}_{{x}}\) (\(x=0.25, 0.5, 0.75\)) alloys within the density functional theory based on the full-potential linearized augmented plane wave method as implemented in the WIEN2k code. We have used the revised Perdew–Burke–Ernzerhof generalized gradient approximation (GGA-PBEsol) to calculate the structural properties and analyze the effect of the Se composition on the lattice constant and the bulk modulus of \(\hbox {MgO}_{1-{x}}\hbox {Se}_{{x}}\). The calculated electronic properties by employing the GGA-PBEsol and TB-mBJ approaches show that \(\hbox {MgO}_{1-{x}}\hbox {Se}_{{x}}\) alloys have a direct band gap \(\Gamma \)–\(\Gamma \) for \(x = 0, 0.25, 0.5\) and 0.75, suggesting the possibility of their use in the long wavelength optoelectronic applications. The optical properties such as the real and imaginary parts of the dielectric function, the refractive index, and the reflectivity of \(\hbox {MgO}_{1-{x}}\hbox {Se}_{{x}}\) are computed by using the accurate TB-mBJ potential. The wide band gaps larger than 3.1 eV mean that \(\hbox {MgO}_{1-{x}}\hbox {Se}_{{x}}\) alloys can be used in the applications of the ultraviolet region of the spectrum. Our data for all studied bowing parameters of \(\hbox {MgO}_{1-{x}}\hbox {Se}_{x}\) may serve as references for future experimental studies.     

Transport studies of $$\hbox {CeO}_{2}$$ molecular device and adsorption behavior of CO on $$\hbox {CeO}_{2}$$ device: a first-principles investigation

Using density functional theory and the non-equilibrium Green’s function formalism, the transport and CO adsorption properties of \(\hbox {CeO}_{2}\) molecular device are studied. The band structure shows that \(\hbox {CeO}_{2}\) nanostructure exhibits semiconducting nature. The electron density is found to be more in oxygen sites rather than in cerium sites along \(\hbox {CeO}_{2}\) nanostructure. The density of states spectrum shows the variation in density of charge upon adsorption of CO on CeO\(_2\) device. The transmission spectrum provides the insights on the transition of charge in \(\hbox {CeO}_{2}\) molecular device upon adsorption of CO along the scattering region. I–V characteristics confirm the adsorption of CO with the variation of current along \(\hbox {CeO}_{2}\) molecular device. The findings show that \(\hbox {CeO}_{2}\) two probe molecular device can be efficiently used for CO detection in the atmosphere.     

Computational study of a new resonant tunneling diode based on an $$\hbox {MoS}_{2}$$ nanoribbon with sulfur line vacancies

Recent experimental studies have shown that sulfur vacancies in monolayer \(\hbox {MoS}_{2}\) are mobile under exposure to an electron beam and tend to accumulate as sulfur line vacancies (Komsa in Phys Rev B 88: 035301, 2013). In this work, we designed a new resonant tunneling diode (RTD) based on this natural property. Two rows of sulfur vacancies are introduced into armchair \(\hbox {MoS}_{2}\) nanoribbons (\(\hbox {A-MoS}_{2}\) NRs) to tune the nanoribbons’ bandgap to obtain the double-barrier quantum well structure of the resonant tunneling diode. This arrangement has a unique benefit that will result in very little physical distortion. A tight-binding (TB) model, with five 4d-orbitals of the Mo atom and three 3p-orbitals of the S atom, is employed for calculations. In the TB model, which is described in terms of Slater–Koster parameters, we also incorporate the changes of edge bonds. Density functional theory is used to determine all the necessary parameters of the TB model. They are obtained by an optimization procedure which achieves very fine parameter values, which can regenerate the most important energy bands of \(\hbox {A-MoS}_{2}\) NRs of different widths, with highly satisfactory precision. The introduction of these new parameters is another contribution of this work. Lastly, the nonequilibrium Green’s function formalism based on the TB approximation is used to explore the properties of the new RTD structures based on \(\hbox {A-MoS}_{2}\) NRs. Negative differential resistance with peak to valley ratio (PVR) of about 78 at room temperature is achieved for one RTD, having peak current \(I_\mathrm{p}=90\) nA. We show that the PVR can exceed 120 when increasing the barrier length of the RTD at the expense of lower \(I_\mathrm{p}\).     

Reduced thickness interconnect model using GNR to avoid crosstalk effects

In this research article, we propose a reduced thickness multilayer graphene nanoribbon (MLGNR) interconnect model to reduce crosstalk effects. The \(10\times \) higher current capability of MLGNR than copper (Cu) makes it an attractive choice to alleviate electromigration problem. The lower resistance of MLGNR is also an important factor to reduce interconnect delay. We have shown that a reduced thickness interconnect structure using MLGNR can reduce the crosstalk effects significantly without compromising the other benefits. The analysis is performed for side-contact GNR (SC-GNR) and top-contact GNR (TC-GNR) structure. Our analysis shows that the reduced thickness side-contact GNR interconnects can achieve \(\sim \)1.02 to \(2.36\times \) reduction in crosstalk induced delay as compared with Cu. Our analysis also shows that the top-contact GNR structure with few layers can also achieve \(\sim \)1.58 to \(1.95\times \) reduction in crosstalk induced delay as compared with Cu. We have performed crosstalk noise and overshoot/undershoot analysis using our proposed model. It is shown that the near-end and far-end crosstalk noise and overshoot/undershoot for SC-GNR and TC-GNR structures are significantly smaller than that of Cu.     

A simulation study of voltage-assisted low-energy switching of a perpendicular anisotropy ferromagnet on a topological insulator

We present a novel memory device that consists of a thin ferromagnetic layer of Fe deposited on topological insulator thin film, \(\hbox {Bi}_{2}\hbox {Se}_{3}\). The ferromagnetic layer has perpendicular anisotropy, due to MgO deposited on its top surface. When current is passed on the surface of \(\hbox {Bi}_{2}\hbox {Se}_{3}\), the surface of the \(\hbox {Bi}_{2} \hbox {Se}_{3}\) becomes spin polarized and strong exchange interaction occurs between the d electrons in the ferromagnet and the electrons conducting the current on the surface of the \(\hbox {Bi}_{2}\hbox {Se}_{3}\). Part of the current is also shunted through the ferromagnet, which generates spin transfer torque in the ferromagnet. The exchange interaction torque along with voltage-controlled magnetic anisotropy allows ultralow-energy switching of the ferromagnet. We perform micromagnetic simulations and predict switching time of the order of 2.5 ns and switching energy of the order of 0.88fJ for a ferromagnetic bit with thermal stability of \(43\,k_\mathrm{{B}}T\). Such ultralow-energy and high-speed switching of a perpendicular anisotropy ferromagnet on a topological insulator could be utilized for energy-efficient memory design.     

Optimal design of the multiple-apertures-GaN-based vertical HEMTs with $$\hbox {SiO}_{2}$$ current blocking layer

Gallium nitride (GaN) based vertical high electron mobility transistor (HEMT) is very crucial for high power applications. Combination of advantageous material properties of GaN for high speed applications and novel vertical structure makes this device very beneficial for high power application. To improve the device performance especially in high drain bias condition, a novel GaN based vertical HEMT with silicon dioxide \((\hbox {SiO}_{2})\) current blocking layer (CBL) was reported recently. In this paper, effects of the thickness of CBL layer and the aperture length on the electrical and breakdown characteristics of GaN vertical HEMTs with \(\hbox {SiO}_{2}\) CBL are simulated by using two-dimensional quantum-mechanically corrected device simulation. Intensive numerical study on the device enables us to optimize and conclude that devices with \(0.5\hbox {-}\upmu \hbox {m}\)-thick \(\hbox {SiO}_{2}\) layer and \(1\hbox {-}\upmu \hbox {m}\)-long aperture will be beneficial considerations to improve the device performance. Notably, using the multiple apertures can effectively reduce the on-state conducting resistance of the device. On increasing the number of apertures, the drain current is increased but the breakdown voltage is decreased. Therefore, device with four apertures is taken as an optimized result. The maximum drain current of 84 mA at \(\hbox {V}_\mathrm{G}= 1\,\hbox {V}\) and \(\hbox {V}_\mathrm{D}= 30\,\hbox {V}\), and the breakdown voltage of 480 V have been achieved for the optimized device.     

Thermoelectric,electronic and structural properties of CuNMn3 cubic antiperovskite

Using first-principles calculations, in this work we report the structural, electronic and, for the first time, thermoelectric properties of CuNMn3 cubic antiperovskite. The structural properties are explored using GGA and \(\hbox {GGA}{+}\hbox {U}\) approximations. Structural optimization shows that the compound is stable in the ferrimagnetic phase, and the electronic properties confirm the metallicity of this compound. At room temperature, high values of the Seebeck coefficient are obtained between \(-\) 0.8 and 0.5 \(\upmu (\hbox {eV})\) chemical potential, whereas outside this region the Seebeck coefficient diminishes. Also, thermal conductivities are minimal in this region of chemical potential; therefore, the material can be used to achieve thermocouples. Thermal conductivity is high for 900 K. The maximum electrical conductivity is obtained at 0.38 \(\upmu (\hbox {eV})\) chemical potential, with a value of \(4.15\times 10^{20}(\Omega ~\hbox {ms})^{-1}\). The figure of merit ZT values obtained are still low, so for thermoelectric applications of the material, it is necessary to improve the figure of merit coefficient by doping the material with a suitable element.     

GaN-based double-gate (DG) sub-10-nm MOSFETs: effects of gate work function

Double-gate (DG) metal–oxide–semiconductor field-effect transistors (MOSFETs) with GaN channel material are very promising for use in future high-performance low-power nanoscale device applications. In this work, GaN-based sub-10-nm DG-MOSFETs with different gate work function, \(\varPhi \), were designed and their performance evaluated. Short-channel effects (SCEs) were significantly reduced by introduction of gates made of dual metals. Use of gold at the source side, having higher \(\varPhi \) (\(\varPhi _{\mathrm{Au}}=5.11\,\hbox {eV}\)) compared with aluminum (\(\varPhi _{\mathrm{Al}}=4.53\,\hbox {eV}\)), at the drain side enhanced the gate control over the channel and screened the effect of the drain on the channel. Dual-metal (DM) DG-MOSFETs showed better results in the nanoscale regime and were more robust to SCEs. Therefore, GaN-based sub-10-nm DM DG-MOSFETs are suitable candidates for use in future complementary metal–oxide–semiconductor (CMOS) technology.     

Improvement in microwave dielectric properties of Sr<Subscript>2</Subscript>TiO<Subscript>4</Subscript> ceramics through post-annealing treatment

Sr₂TiO₄ ceramics were synthesized via the conventional solid-state reaction process, and the effects of post-annealing treatment in air on the microwave dielectric properties and defect behavior of title compound were investigated systematically. The Q?×?f values could be effectively improved from 107,000 GHz to 120,300 GHz for the specimens treated at 1450 °C for 16 h. The thermally stimulated depolarization currents (TSDC) revealed two kinds of defect dipoles [\( \left({\mathrm{Ti}}_{\mathrm{Ti}}^{\hbox{'}}-{V}_{\mathrm{O}}^{\bullet \bullet}\right) \) and \( \left({V}_{\mathrm{Sr}}^{"}-{V}_{\mathrm{O}}^{\bullet \bullet}\right) \)] and oxygen vacancies \( \left({V}_{\mathrm{O}}^{\bullet \bullet}\right) \) were considered the main defects in Sr₂TiO₄. Under a post-annealing treatment in air, the concentrations of such defects in the ceramics decreased. Meanwhile, the impedance spectrum revealed the activation energy of the grain boundaries increased. These evidences could account for the improvement of Q?×?f values. Accompanied with a high ε_r of 40.4 and a large τ_f of 126 ppm/°C, the enhanced high-Q Sr₂TiO₄ ceramics can be good candidates for applications in wireless passive temperature sensing.     

A GMR device based on a magnetic nanostructure with a $$\updelta $$-doping

We study how to manipulate by the \(\updelta \)-doping a giant magnetoresistance (GMR) device, which can be realized experimentally by depositing two parallel ferromagnetic stripes on top and bottom of the semiconductor \(\hbox {GaAs/Al}_{x}\hbox {Ga}_{1-x}\mathrm{As}\) heterostructure. We demonstrate an obvious GMR effect in the device with a \(\updelta \)-doping. We also reveal that the magnetoresistance ratio depends not only on the weight but also on the position of the \(\updelta \)-doping. These interesting results will be helpful for designing controllable GMR devices.     

Series and parallel resistance effects on the C–V and G–V characteristics of $$\mathrm{Al}/\mathrm{SiO}_{2}$$/Si structure

This paper investigates the electrical behavior of the C–V and G–V characteristics of \(\mathrm{Al}/\mathrm{SiO}_{2}/\mathrm{Si}\) structure. The modeling of capacitance and conductance has been developed from complex admittance treatment applied to the proposed equivalent circuit. Poisson transport equations have been used to determine the charge density, surface potential, total capacitance, and flatband and threshold voltages as a function of the gate voltage, frequency (\(\omega )\), and series \(({R}_{\mathrm{s}})\) and parallel \(({R}_{\mathrm{p}})\) resistances. Results showed a frequency dispersion of C–V and G–V curves in both accumulation and inversion regimes. With increasing frequency, the accumulation capacitance is decreased, whereas the conductance is strongly increased. The shape, dispersion, and degradation of C–V and G–V characteristics are more influenced when parallel and series resistances \((\mathrm{R}_{\mathrm{s}}\), \(\mathrm{R}_{\mathrm{p}})\) are dependent to substrate doping density. The variation of \(\mathrm{R}_{\mathrm{s}}\) and \(\mathrm{R}_{\mathrm{p}}\) values led to a reduction of flatband voltage from ?1.40 to ?1.26 V and increase of the threshold voltage negatively from ?0.28 to ?0.74 V. A good agreement has been observed between simulated and measured C–V and G–V curves obtained at high frequency.     

Structural,electrical and optical properties of $$\hbox {InGaZnO}_{4}$$ and $$\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}$$In29Sn3O48: a first-principles study

First-principles calculations were performed to investigate the electrical and optical properties of \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) with Sn-doped \(\hbox {In}_{2}\hbox {O}_{3}\) and \(\hbox {InGaZnO}_{4}\) (IGZO). The band structure, density of states, optical properties including dielectric function, loss function, reflectivity and absorption coefficient are calculated. The calculated total energy shows that the most stable crystal structures are type III for \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) and type II for \(\hbox {InGaZnO}_{4}\). The band structure indicates the both \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) and \(\hbox {InGaZnO}_{4}\) are direct gap semiconductors. The intrinsic band gap of \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) is much narrower than that of \(\hbox {InGaZnO}_{4}\), and results in a better electrical conductivity for \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\). The density of states shows the main hybridization occurring between In-4d and O-2p states for \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) while between In-4d In-5p, Zn-4s and O-2p states for \(\hbox {InGaZnO}_{4}\) near the valence band maximum. The reflectivity index \(R({\omega })\) shows that the peak value of \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) and \(\hbox {InGaZnO}_{4}\) appears only in the ultraviolet range, indicating that these two materials have all excellent transparency. In addition, the absorption coefficient \({\alpha }({\omega })\) of both \(\hbox {In}_{29}\hbox {Sn}_{3}\hbox {O}_{48}\) and \(\hbox {InGaZnO}_{4}\) is high in the ultraviolet frequency range, and therefore they show, a high UV absorption rate.