Direct calculations on the band offsets of large-latticemismatched and heterovalent Si and III-V semiconductors

Band offset in semiconductors is a fundamental physical quantity that determines the performance of optoelectronic devices.However,the current method of calculating band offset is difficult to apply directly to the large-lattice-mismatched and heterovalent semiconductors because of the existing electric field and large strain at the interfaces.Here,we proposed a modified method to calculate band offsets for such systems,in which the core energy level shifts caused by heterovalent effects and lattice mismatch are estimated by interface reconstruction and the insertion of unidirectional strain structures as transitions,respectively.Taking the Si and III-V systems as examples,the results have the same accuracy as what is a widely used method for small-lattice-mismatched systems,and are much closer to the experimental values for the large-lattice-mismatched and heterovalent systems.Furthermore,by systematically studying the heterojunctions of Si and III-V semiconductors along different directions,it is found that the band offsets of Si/InAs and Si/InSb systems in[100],[110]and[111]directions belong to the type I,and could be beneficial for silicon-based luminescence performance.Our study offers a more reliable and direct method for calculating band offsets of large-lattice-mismatched and heterovalent semiconductors,and could provide theoretical support for the design of the high-performance silicon-based light sources.

Carrier-driven magnetic and topological phase transitions in twodimensional III-V semiconductors

III-V semiconductors such as GaAs are widely studied as promising candidates for high-speed integrated circuit.Despite these applications for conventional bulk structures,their fundamental physical properties in the nanoscale limit are still in scarcity,which is of great importance for the development of nanoelectronics.In this work,we demonstrate that the III-V semiconductor MX(M=Al,Ga,In;X=P,As,Sb)in its two-dimensional(2D)limit could exhibit double layer honeycomb(DLHC)configuration and distorted tetrahedral coordination,according to our first-principles calculations with HSE06 hybrid functional.It is found that surface reconstruction endows 2D III-V DLHCs with pronouncedly different electronic and magnetic properties from their bulk counterparts due to strong interlayer coupling.Mexican-hat-shape bands emerge at the top valence bands of pristine AlP,GaP,InP,AlAs,and InAs DLHCs,inducing the density of states showing a sharp van Hove singularity near the Fermi level.As a result,these DLHCs exhibit itinerant magnetism upon moderate hole doping,while the rest GaAs,AlSb,GaSb,and InSb DLHCs become magnetic under tensile strain with hole doping.With an exchange splitting of the localized pz states at the top valence bands,the hole-doped III-V DLHCs become half-metals with 100%spin-polarization.Remarkably,the InSb DLHC shows inverted band structure near the Fermi level,bringing about nontrivial topological band structures in stacked InSb DLHC due to the strong spin-orbital coupling.These III-V DLHCs expand the members of 2D material family and their exotic magnetic and topological properties may offer great potential for applications in the novel electronic and spintronic devices.

Selection of dopants and doping sites in semiconductors:the case of AlN

The choices of proper dopants and doping sites significantly influence the doping efficiency.In this work,using doping in Al N as an example,we discuss how to choose dopants and doping sites in semiconductors to create shallow defect levels.By comparing the defect properties of C_(N),O_(N),Mg_(Al),and Si_(Al)in AlN and analyzing the pros and cons of different doping approaches from the aspects of size mismatch between dopant and host elements,electronegativity difference and perturbation to the band edge states after the substitution,we propose that Mg_(Al)and Si_(Al)should be the best dopants and doping sites for p-type and n-type doping,respectively.Further first-principles calculations verify our predictions as these defects present lower formation energies and shallower defect levels.The defect charge distributions also show that the band edge states,which mainly consist of N-s and p orbitals,are less perturbed when Al is substituted,therefore,the derived defect states turn out to be delocalized,opposite to the situation when N is substituted.This approach of analyzing the band structure of the host material and choosing dopants and doping sites to minimize the perturbation on the host band structure is general and can provide reliable estimations for finding shallow defect levels in semiconductors.

Low-Cost and Biodegradable Thermoelectric Devices Based on van der Waals Semiconductors on Paper Substrates

We present a method to fabricate handcrafted thermoelectric devices on standard office paper substrates.The devices are based on thin films of WS_(2),Te,and BP(P-type semiconductors)and TiS_(3)and TiS_(2)(N-type semiconductors),deposited by simply rubbing powder of these materials against paper.The thermoelectric properties of these semiconducting films revealed maximum Seebeck coefficients of(+1.32±0.27)mV K^(-1)and(-0.82±0.15)mV K^(-1)for WS_(2)and TiS_(3),respectively.Additionally,Peltier elements were fabricated by interconnecting the P-and N-type films with graphite electrodes.A thermopower value up to 6.11 mV K^(-1)was obtained when the Peltier element were constructed with three junctions.The findings of this work show proof-of-concept devices to illustrate the potential application of semiconducting van der Waals materials in future thermoelectric power generation as well as temperature sensing for low-cost disposable electronic devices.

Progress in Antimonide Based III-V Compound Semiconductors and Devices

In recent years, the narrow bandgap antimonide based compound semiconductors (ABCS) are widely regarded as the first candidate materials for fabrication of the third generation infrared photon detectors and integrated circuits with ultra-high speed and ultra-low power consumption. Due to their unique bandgap structure and physical properties, it makes a vast space to develop various novel devices, and becomes a hot research area in many developed countries such as USA, Japan, Germany and Israel etc. Research progress in the preparation and application of ABCS materials, existing problems and some latest results are briefly introduced.

Features of Recombination Radiation of GaAs Type Semiconductors with the Participation of Fine Acceptor Levels in a Magnetic Field

Using the method of Picus and Beer invariants, general expressions are obtained for the total intensity I and the degree of circular polarization Рcirc.of the luminescence of GaAs-type semiconductors with the participation of shallow acceptor levels in a longitudinal magnetic field H. Special cases are analyzed depending on the value and direction of the magnetic field strength, as well as on the constants of the g-factor of the acceptor g1,g2and the conduction band electron ge. In the case of a strong magnetic field H// [100], [111], [110], a numerical calculation of the angular dependence of the quantities I and Рcirc.was performed for some critical values of g2/g1, at which Рcirc.exhibits a sharp anisotropy in the range from −100% to +100%, and the intensity of the crystal radiation along the magnetic field tends to a minimum value.

Control of Threshold and Gain of Parametric Amplification in Magnetoactive III-V Piezoelectric Semiconductors

The effect of doping concentrations and a transverse external magnetostatic field on operational characteristics of parametric amplification of backward Stokes signal has been studied, using hydrodynamic model of semiconductors, in the far infrared regime. The model suggests three achievable resonance conditions: (i) lattice frequency and plasma frequency (ii) stokes frequency and electron-cyclotron frequency (iii) stokes frequency and hybrid (plasma and electron-cyclotron) frequency and these conditions have been utilised, on one hand, to substantially reduce the value of threshold intensity for onset of the parametric amplification and on the other hand, for switching of parametric large positive and negative gain coefficient (i.e. amplification and absorption). For example a strong transverse magnetostatic field 10.0 T with free carrier concentration 1.5 x 1019m-3 enhances the gain by a factor of 103 as in its absence. Results also suggest that a weakly piezoelectric III–V semiconductor duly illuminated by slightly off-resonant not-too-high-power pulsed lasers with pulse duration sufficiently larger than the acoustic phonon lifetime is one of promising hosts for parametric amplifier/frequency converter.

Double Covalency Factors and DoubleξModel in Study on Optical and Magnetic Properties of Diluted Magnetic Semiconductors ZnX∶Co~ 2+

The optical absorption spectra of the covalent crystals ZnX(X=S,Se) doped with Co 2+ are studied using the double covalency factors,which considers the anisotropic distortion of e g and t 2g orbits for d electron.When the paramagnetic g factor is calculated,the contributions of the spin orbit coupling from the ligand ions are taken into account besides that from the central ion,which is the double ξ model.The calculated results indicate that the theoretical values coincide with the experimental values very well.This suggests that the method presented in this paper could be more valid to some strongly covalent crystals.

Families of magnetic semiconductors——an overview

The interplay of magnetic and semiconducting properties has been in the focus for more than a half of the century. In this introductory article we briefly review the key properties and functionalities of various magnetic semiconductor families, including europium chalcogenides, chromium spinels, dilute magnetic semiconductors, dilute ferromagnetic semiconductors and insulators, mentioning also sources of non-uniformities in the magnetization distribution, accounting for an apparent high Curie temperature ferromagnetism in many systems. Our survey is carried out from today's perspective of ferromagnetic and antiferromagnetic spintronics as well as of the emerging fields of magnetic topological materials and atomically thin 2D layers.

Advances in new generation diluted magnetic semiconductors with independent spin and charge doping

As one branch of spintronics, diluted magnetic semiconductors (DMSs) are extensively investigated due to their fundamental significance and potential application in modern information society. The classical materials (Ga,Mn)As of III-V group based DMSs has been well studied for its high compatibility with the high-mobility semiconductor GaAs. But the Curie temperature in (Ga,Mn)As film is still far below room temperature because the spin & charge doping is bundled to the same element that makes the fabrication very difficult. Alternatively, the discovery of a new generation DMSs with independent spin and charge doping, such as (Ba,K)(Zn,Mn)2As2 (briefly named BZA), attracted considerable attention due to their unique advantages in physical properties and heterojunction fabrication. In this review we focus on this series of new DMSs including (I) materials in terms of three types of new DMSs, i.e. the "111","122" and "1111" system;(II) the physical properties of BZA;(III) single crystals & prototype device based on BZA. The prospective of new type of DMSs with independent spin and charge doping is briefly discussed.

Amorphous magnetic semiconductors with Curie temperatures above room temperature

Recently, amorphous magnetic semiconductors as a new family of magnetic semiconductors have been developed by oxidizing ferromagnetic amorphous metals/alloys. Intriguingly, tuning the relative atomic ratios of Co and Fe in a Co-Fe-Ta-B-O system leads to the formation of an intrinsic magnetic semiconductor. Starting from high Curie-temperature amorphous ferromagnets, these amorphous magnetic semiconductors show Curie temperatures well above room temperature. Among them, one typical example is a p-type Co28.6Fe12.4Ta4.3B8.7O46 magnetic semiconductor, which has an optical bandgap of ~2.4 eV, roomtemperature saturation magnetization of ~433 emu/cm3, and the Curie temperature above 600 K. The amorphous Co28.6Fe12.4Ta4.3B8.7O46 magnetic semiconductor can be integrated with n-type Si to form p-n heterojunctions with a threshold voltage of ~1.6 V, validating its p-type semiconducting character. Furthermore, the demonstration of electric field control of its room-temperature ferromagnetism reflects the interplay between the electricity and ferromagnetism in this material. It is suggested that the carrier density, ferromagnetism and conduction type of an intrinsic magnetic semiconductor are controllable by means of an electric field effect. These findings may pave a new way to realize magnetic semiconductor-based spintronic devices that work at room temperature.

Progress on microscopic properties of diluted magnetic semiconductors by NMR and μSR

Diluted magnetic semiconductors (DMSs) that possess both properties of semiconductors and ferromagnetism, have attracted a lot of attentions due to its potential applications for spin-sensitive electronic devices. Recently, a series of bulk form DMSs isostructural to iron-based superconductors have been reported, which can be readily investigated by microscopic experimental techniques such as nuclear magnetic resonance (NMR) and muon spin rotation (μSR). The measurements have demonstrated that homogeneous ferromagnetism is achieved in these DMSs. In this review article, we summarize experimental evidences from both NMR and μSR measurements. NMR results have shown that carriers facilitate the interactions between distant Mn atoms, while μSR results indicate that these bulk form DMSs and (Ga,Mn)As share a common mechanism for the ferromagnetic exchange interactions.

High temperature magnetic semiconductors: narrow band gaps and two-dimensional systems

Magnetic semiconductors have been demonstrated to work at low temperatures, but not yet at room temperature for spin electronic applications. In contrast to the p-type diluted magnetic semiconductors, n-type diluted magnetic semiconductors are few. Using a combined method of the density function theory and quantum Monte Carlo simulation, we briefly discuss the recent progress to obtain diluted magnetic semiconductors with both p- and n-type carriers by choosing host semiconductors with a narrow band gap. In addition, the recent progress on two-dimensional intrinsic magnetic semiconductors with possible room temperature ferromangetism and quantum anomalous Hall effect are also discussed.

Progress of novel diluted ferromagnetic semiconductors with decoupled spin and charge doping: Counterparts of Fe-based superconductors

Diluted ferromagnetic semiconductors（DMSs） that combine the properties of semiconductors with ferromagnetism have potential application in spin-sensitive electronic（spintronic） devices. The search for DMS materials exploded after the observation of ferromagnetic ordering in Ⅲ-Ⅴ（Ga,Mn）As films. Recently, a series of DMS compounds isostructural to iron-based superconductors have been reported. Among them, the highest Curie temperature TCo f 230 K has been achieved in（Ba,K）（Zn,Mn）2As2. However, most DMSs, including（Ga,Mn）As, are p-type, i.e., the carriers that mediate the ferromagnetism are holes. For practical applications, DMSs with n-type carriers are also advantageous. Very recently,a new DMS Ba（Zn,Co）2As2 with n-type carriers has been synthesized. Here we summarize the recent progress on this research stream. We will show that the homogeneous ferromagnetism in these bulk form DMSs has been confirmed by microscopic techniques, i.e., nuclear magnetic resonance（NMR） and muon spin rotation（μSR）.

A review on heterogeneous photocatalysis for environmental remediation:From semiconductors to modification strategies

Heterogeneous photocatalysis,an advanced oxidation process,has garnered extensive attention in the field of environmental remediation because it involves the direct utilization of solar energy for the removal of numerous pollutants.However,the application of heterogeneous photocatalysis in environmental remediation has not achieved the expected consequences due to enormous challenges such as low photocatalytic efficiencies and high costs of heterogeneous photocatalysts in large-scale practical applications.Furthermore,pollutants in the natural environment,including water,air,and solid phases,are diverse and complex.Therefore,extensive efforts should be made to better understand and apply heterogeneous photocatalysis for environmental remediation.Herein,the fundamentals of heterogeneous photocatalysis for environmental remediation are introduced.Then,potential semiconductors and their modification strategies for environmental photocatalysis are systematically presented.Finally,conclusions and prospects are briefly summarized,and the direction for the future development of environmental photocatalysis is explored.This review may provide reference directions toward understanding,researching,and designing photocatalytic remediation systems for various environmental pollutants.

First principles study on the structural, electronic and optical properties of diluted magnetic semiconductors Zn1-xCoxX （X=S, Se, Te）

The electronic and optical properties of zincblende ZnX（X=S, Se, Te） and ZnX：Co are studied from density functional theory （DFT） based first principles calculations. The local crystal structure changes around the Co atoms in the lattice are studied after Co atoms are doped. It is shown that the Co-doped materials have smaller lattice constant （about 0.6%-0.9%）. This is mainly due to the shortened Co-X bond length. The （partial） density of states （DOS） is calculated and differences between the pure and doped materials are studied. Results show that for the Co-doped materials, the valence bands are moving upward due to the existence of Co 3d electron states while the conductance bands are moving downward due to the reduced lattice constants. This results in the narrowed band gap of the doped materials. The complex dielectric indices and the absorption coefficients are calculated to examine the influences of the Co atoms on the optical properties. Results show that for the Co-doped materials, the absorption peaks in the high wavelength region are not as sharp and distinct as the undoped materials, and the absorption ranges are extended to even higher wavelength region.

LARGE TIME BEHAVIOR OF SOLUTIONS TO1-DIMENSIONAL BIPOLAR QUANTUM HYDRODYNAMIC MODEL FOR SEMICONDUCTORS

In this article, we study the 1-dimensional bipolar quantum hydrodynamic model for semiconductors in the form of Euler-Poisson equations, which contains dispersive terms with third order derivations. We deal with this kind of model in one dimensional case for general perturbations by constructing some correction functions to delete the gaps between the original solutions and the diffusion waves in L2-space, and by using a key inequality we prove the stability of diffusion waves. As the same time, the convergence rates are also obtained.

The predicaments and expectations in development of magnetic semiconductors

Over the past half a century, considerable research activities have been directing towards the development of magnetic semiconductors that can work at room temperature. These efforts were aimed at seeking room temperature magnetic semiconductors with strong and controllable s, p-d exchange interaction. With this s, p-d exchange interaction, one can utilize the spin degree of freedom to design applicable spintronics devices with very attractive functions that are not available in conventional semiconductors. Here, we first review the progress in understanding of this particular material and the dilemma to prepare a room temperature magnetic semiconductor. Then we discuss recent experimental progresses to pursue strong s, p-d interaction to realize room temperature magnetic semiconductors, which are achieved by introducing a very high concentration of magnetic atoms by means of low-temperature nonequilibrium growth.

2D organic semiconductors, the future of green nanotechnology

The discovery of 2D organic semiconductors of atomically thin structures has attracted great attention due to their emerging optical, electronic, optoelectronic and mechatronic properties. Recent progress in such organic nanostructures has opened new opportunities for engineering material properties in many ways, such as, 0D/1D/2D nanoparticles hybridization, strain engineering, atomic doping etc. Moreover, 2D organic nanostructures exhibit a unique feature of bio–functionality and are highly sensitive to bio-analytes. Such peculiar behavior in 2D organics can be utilized to design highly-efficient bio-sensors. Also, a bio-molecular integrated electronic/optoelectronic device with enhanced performance can be attained. Furthermore, the bio-degradable, biocompatible, biometabolizable, non-toxic behaviour and natural origin of organic nanomaterials can address the current ecological concerns of increasing inorganic material based electronic waste. This review highlights the benefits of 2D organic semiconductors. Considering the importance of strategic techniques for growing thin 2D organic layers,this review summarizes progress towards this direction. The possible challenges for long-time stability and future research directions in 2D organic nano electronics/optoelectronics are also discussed. We believe that this review article provides immense research interests in organic 2D nanotechnology for exploiting green technologies in the future.

Band gap engineering of atomically thin two-dimensional semiconductors

Atomically thin two-dimensional （2D） layered materials have potential applications in nanoelectronics, nanophoton- ics, and integrated optoelectronics. Band gap engineering of these 2D semiconductors is critical for their broad applications in high-performance integrated devices, such as broad-band photodetectors, multi-color light emitting diodes （LEDs）, and high-efficiency photovoltaic devices. In this review, we will summarize the recent progress on the controlled growth of composition modulated atomically thin 2D semiconductor alloys with band gaps tuned in a wide range, as well as their induced applications in broadly tunable optoelectronic components. The band gap engineered 2D semiconductors could open up an exciting opportunity for probing their fundamental physical properties in 2D systems and may find diverse applications in functional electronic/optoelectronic devices.