Structural,Morphological and Electrical Properties of In-Doped Zinc Oxide Nanostructure Thin Films Grown on p-Type Gallium Nitride by Simultaneous Radio-Frequency Direct-Current Magnetron Co-Sputtering

Zinc oxide （ZnO） is one of the most promising and frequently used semiconductor materials. In-doped nanos- tructure ZnO thin films are grown on p-type gallium nitride substrates by employing the simultaneous rf and dc magnetron co-sputtering technique. The effect of In-doping on structural, morphological and electrical properties is studied. The different dopant concentrations are accomplished by varying the direct current power of the In target while keeping the fixed radio frequency power of the ZnO target through the co-sputtering deposition technique by using argon as the sputtering gas at ambient temperature. The structural analysis confirms that all the grown thin films preferentially orientate along the c-axis with the wurtzite hexagonal crystal structure without having any kind of In oxide phases. The presenting Zn, 0 and In elements＇ chemical compositions are identified with EDX mapping analysis of the deposited thin films and the calculated M ratio has been found to decrease with the increasing In power. The surface topographies of the grown thin films are examined with the atomic force microscope technique. The obtained results reveal that the grown film roughness increases with the In power. The Hall measurements ascertain that all the grown films have n-type conductivity and also the other electrical parameters such as resistivity,mobility and carrier concentration are analyzed.

Effects of N-doping concentration on the electronic structure and optical properties of N-doped β-Ga_2O_3

The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.

Heteroatom Structural Engineering Enables Ethenylene-Bridged Bisisoindigo-Based Copolymers to Exhibit Unique n-Type Transistor Performance

Herein,we report three novel electron-deficient aromatics,ethenylene-bridged bisisoindigos 3,3′-((3E,3′E)-((E)-ethene-1,2-diyl)bis(1-(4-decyltetradecyl)-2-oxoind-oline-6-yl-3-ylidene))bis(1-(4-decyltetradecyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one)(NCCN),3,3′-((3E,3′E)-((E)-ethene-1,2-diyl)bis(1-(4-decyltetradecyl)-7-fluoro-2-oxoindoline-6-yl-3-ylidene))bis(1-(4-decyltetradecyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one)(NFFN),and(3E,3″E)-6,6″-((E)-ethene-1,2-diyl)bis(1,1′-bis(4-decyltetradecyl)-[3,3′-bipyrrolo[2,3-b]pyridinylidene]-2,2′(1H,1′H)-dione)(NNNN),and their derived donor–acceptor(D–A)copolymers,namely poly[3,3′-((3E,3′E)-((E)-ethene-1,2-diyl)bis(1-(4-decyltetradecyl)-2-oxoindoline-6-yl-3-ylidene))bis(1-(4-decyltetradecyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one-6-yl)]-alt-[5,6-difluoro-4,7-di[(thiophen-2-yl)-5-yl)]benzo[c][1,2,5]thiadiazole](PNCCN-FBT),poly[3,3′-((3E,3′E)-((E)-ethene-1,2-diyl)bis(1-(4-decyltetradecyl)-7-fluoro-2-oxoindoline-6-yl-3-ylidene))bis(1-(4-decyltetradecyl)-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one-6-yl)]-alt-[5,6-difluoro-4,7-di[(thiophen-2-yl)-5-yl)]benzo[c][1,2,5]thiadiazole](PNFFNFBT),and poly[(3E,3″E)-6′,6‴-((E)-ethene-1,2-diyl)bis(1,1′-bis(4-decyltetradecyl)-[3,3′-bipyrrolo[2,3-b]pyridinylidene]-2,2′(1H,1′H)-dione-6-yl)]-alt-[5,6-difluoro-4,7-di[(thiophen-2-yl)-5-yl)]benzo[c][1,2,5]thiadiazole](PNNNN-FBT),in which 5,6-difluoro-4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole(FBT)acts as the electron-donating units.The ethenylene-bridging unit reduces the steric hindrance of the three bisisoindigos.Incorporation of heteroatoms,such as fluorine and sp2-nitrogen atoms,endows them with multiple CH···F,CH···N,and N···S intramolecular hydrogen bonds/nonbinding interactions,resulting in increasing backbone planarity from NCCN,NFFN,to NNNN,and thus from PNCCN-FBT,PNFFN-FBT,to PNNNN-FBT.We found that all copolymers formed an improved molecular packing in the 1-chloronaphthalene(CN)-processed thin film compared with the 1,2-dichlorobenzene-processed one.The CN-processed PNCCN-FBT-based polymer field-effect transistors showed ambipolar transport characteristics with the electron mobility(μe)and hole mobility of 1.20 and 0.46 cm^(2)V^(−1)^s(−1),respectively,while the PNFFN-FBT-and PNNNN-FBT-based ones afforded unique n-type transport characteristics with impressively highμe up to 3.28 cm^(2)V^(−1)^s(−1).The lower frontier molecular orbital energy levels of PNFFN-FBT are the key reason for its higherμe.This study demonstrated that heteroatom structural engineering on ethenylene-bridged bisisoindigos is an effective way to construct high-performance n-type polymer semiconductors.

The effect of electronic orbital interactions on p-type doping tendency in ZnO series： First-principles calculations

The electronic structures and optical properties of B3 ZnO series of Zn4X4-yMy（X ：O, S, Se or Te; M = N, Sb, C1 or I; y = 0 or 1） are studied by first-principles calculations using a pseudopotential plane-wave method. The results show that Zn d-X p orbital interactions play an important role in the p-type doping tendency in zinc-based Ⅱ-Ⅵ semiconductors. In ZnX, with increasing atomic number of X, Zn d-X p orbital interactions decrease and Zn s-X p orbital interactions increase. Additionally, substituting group-V elements for X will reduce the Zn d-X p orbital interactions while substituting group-VII elements for X will increase the Zn d-X p orbital interactions. The results also show that group-V-doped ZnX and group-Ⅷ-doped ZnX exhibit different optical behaviours due to their different orbital interaction effects.

Nonlinear optical properties in n-type quadrupleδ-doped GaAs quantum wells

The effects of the interlayer distance on the nonlinear optical properties of n-type quadrupleδ-doped GaAs quantum well were theoretically investigated.Particularly,the absorption coefficient and the relative refraction index change were determined.In the effective mass approach and within the framework of the Thomas-Fermi theory,the Schrodinger equation was resolved.Thereby,the subband energy levels and their respective wave functions were calculated.The variations in the nonlinear optical properties were determined by using the density matrix solutions.The achieved results demonstrate that the interlayer distance causes optical red-shift on nonlinear optical properties.Therefore,it can be deduced that the suitably chosen interlayer distance can be used to tune optical properties within the infrared spectrum region in optoelectronic devices such as far-infrared photo-detectors,high-speed electronic-optical modulators,and infrared lasers.

Interlayer distance effects on absorption coefficient and refraction index change in p-type double-δ-doped GaAs quantum wells

In the framework of the Thomas–Fermi(TF) approach, a model for the p-type double-δ-doped(DDD) system in Ga As is presented. This model, unlike other works in the literature, takes into account that the Poisson equation associated with the system is nonlinear. The electronic structure is calculated for heavy and light holes. The changes in the electronic structure result of the distance d between the doped layers are studied. In particular, the relative absorption coefficient as well as the relative refractive index change is calculated as a function of the incident photon energy for heavy holes. The effect of the interlayer distance exhibits, in the absorption coefficient, a red shift of the peak position and a decrease in amplitude when the distance increases. In addition, the relative refractive index change node has a red shift as well as the interlayer distance increases. The calculations show that the effect of the separation between layers has a greater influence on the linear terms. These results are very important for theoretical calculations and engineering of optical and electronic devices based in δ-doped Ga As.

Annealing Effects on Electrical Properties and Interfacial Reactions of Ni/Cu Schottky Rectifiers on n-Type InP

We report on the effect of annealing temperature on electrical, interfacial reactions and surface morphological properties of Ni/Cu Schottky contacts on n-type InP. The extracted barrier height of as-deposited Ni/Cu Schottky contact is 0.59 eV (I-V) respectively. The high-quality Schottky contact with barrier height and ideality factor of 0.65 eV (I-V) and 1.15 respectively, can be obtained after annealing at 300℃ for 1 min in a nitrogen atmosphere. However, annealing at 400℃, results the decrease in the barrier height to 0.54 eV (I-V). From the above observations, it is observed that Ni/Cu Schottky contact exhibited excellent electrical properties after annealing at 300℃. Hence, the optimum annealing temperature for the Ni/Cu Schottky contact is 300℃. Furthermore, Cheung’s functions is used to extract the diode parameters including ideality factor, barrier height and series resistance. According to the XRD analysis, the formation of the indium phases at the Ni/Cu/n-InP interface could be the reason for the increase in the barrier height at annealing temperature 300℃. Further, the degradation of the barrier heights after annealing at 400℃ may be due to the formation of phosphide phases at the Ni/Cu/n-InP interface. Scanning electron microscopy (SEM) results show that the overall surface morphology of the Ni/Cu Schottky contact is reasonably smooth.

First-principles Study of Divalent ⅡA and Transition ⅡB Metals Doping into Cu_2O

Divalent IIA metals such as Be, Mg, Ca, Sr, Ba and transition IIB metals such as Zn, Cd were investigated as possible n-type dopants into the Cu2 O theoretically by using the first-principles calculations based on density functional theory. By systematical analyses of the lattice parameters, the bond length, the electronic structure, the local density of states and the defect formation energy for various doping systems, it is revealed that Ca, Sr, Ba and Be are more suited for n-type doping into Cu2O as shallow donors, compared to Mg which introduces a relatively deep donor level in Cu2O. Meanwhile, Zn and Cd can hardly be doped into Cu2O due to the positive formation energy of relevant defects.

Electron-transporting boron-doped polycyclic aromatic hydrocarbons:Facile synthesis and heteroatom doping positions-modulated optoelectronic properties

While heteroatom doping serves as a powerful strategy for devising novel polycyclic aromatic hydrocarbons(PAHs), the further fine-tuning of optoelectronic properties via the precisely altering of doping patterns remains a challenge. Herein, by changing the doping positions of heteroatoms in a diindenopyrene skeleton, we report two isomeric boron, sulfur-embedded PAHs, named Anti-B_(2)S_(2) and Syn-B_(2)S_(2), as electron transporting semiconductors. Detailed structure-property relationship studies revealed that the varied heteroatom positions not only change their physicochemical properties, but also largely affect their solid-state packing modes and Lewis base-triggered photophysical responses. With their low-lying frontier molecular orbital levels, n-type characteristics with electron mobilities up to 1.5 × 10^(-3)cm^(2)V^(-1)s^(-1)were achieved in solution-processed organic field-effect transistors. Our work revealed the critical role of controlling heteroatom doping patterns for designing advanced PAHs.

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 Nazn-So have smaller formation energy than Nain-So in energy ranges from -3.10 to 0 eV of/Zo, indicating that it opens up a new opportunity for growth the p-type ZnO. The band structure shows that the Nazn 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 Nazn-So 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 Nazn-So are larger than effective masses of Nazn and the Nazn-So have more hole carriers than Nazn, meaning the hole in the Nazn-So system may have a better carrier transfer character. So we inferred that Nazn-So should be a candidate of p-type conduction.

Growth of pure zinc blende p-type GaAs nanowires by metal-organic chemical vapor deposition

Vertical p-type gallium arsenide （GaAs） nanowires with pure zinc blende structure were grown on GaAs （111） B substrate by metal-organic chemical vapor deposition via a Au-catalyst vapor-liquid-solid mechanism. The p-type doping was investigated by additional diethyl zinc （DEZn）. In the high Ⅱ/Ⅲ ratio range （Ⅱ/Ⅲ〉9.1%）, there exists a critical length beyond which kinking takes place. Two possible reasons are discussed. Zn occurrence in the nanowires was verified by energy dispersive X-ray （EDX） analysis. Corresponding to Ⅱ/Ⅲ = 0.2%, the doping concentration is about 8 × 10^18 cm^-3.

纳米结构和能带工程提高Bi-Sb-Te合金的热电性能

碲化铋由于其优异的性能,已成为商业上广泛使用的热电材料.然而,通过熔化方法获得的p型Bi-Sb-Te热电材料的性能仍有进一步改进的空间.在这项工作中,CsBr化合物被用来提高Bi_(0.42)Sb_(1.58)Te_(3)(BST)材料的热电性能.采用熔化法和放电等离子体烧结相结合的方法制备了BST+x wt%CsBr(x=0,0.10,0.20,0.30)的块状材料.Cs和Br共掺杂可以显著提高BST合金的电导率,同时降低其热导率,使其在323 K下的最大ZT值为1.2.对于x=0.20的样品,在400 K以下具有1.1的平均ZT.密度泛函理论和透射电子显微镜分析表明,Cs掺杂有效地减小了带隙,增加了费米能级附近的态密度,并使能带变平缓,从而使电输运特性得到了明显增强(最大功率因子接近3500μW mK^(-2)).此外,Cs掺杂可以使得Sb从晶格中脱离出来并与晶格中的游离氧结合形成纳米级Sb_(2)O_(3),使其能够有效地散射中频声子并降低热导率,同时保持相对较高的塞贝克系数.这项研究提出了一种新的方法,可以仅单独通过CsBr掺杂来解决热电材料中电导率和热导率之间的矛盾.

Design principle of S-scheme heterojunction photocatalyst

Recently,a new opinion was put forward on general design standards for S-scheme heterojunction photocatalyst.Four types of S-scheme heterojunctions were analyzed.Specifically,the critical understanding on the curved Fermi level at the interface of S-scheme heterojunction is helpful to strengthen and promote the basic theory of photocatalysis.

Recent advances on π-conjugated polymers as active elements in high performance organic field-effect transistors

As high-performance organic semiconductors, π-conjugated polymers have attracted much attention due to their charming advantages including low-cost, solution processability, mechanical flexibility, and tunable optoelectronic properties. During the past several decades, the great advances have been made in polymers-based OFETs with p-type, n-type or even ambipolar characterics. Through chemical modification and alignment optimization, lots of conjugated polymers exhibited superior mobilities, and some mobilities are even larger than 10 cm^(2)·V^(−1)·s^(−1) in OFETs, which makes them very promising for the applications in organic electronic devices. This review describes the recent progress of the high performance polymers used in OFETs from the aspects of molecular design and assembly strategy. Furthermore, the current challenges and outlook in the design and development of conjugated polymers are also mentioned.

First-principles calculation of the electronic band of ZnO doped with C

Using the first-principles approach based upon the density functional theory （DFT）, we have studied the electronic structure of wurtzite ZnO systems doped with C at different sites. When Zn is substituted by C, the system turns from a direct band gap semiconductor into an indirect band gap semiconductor, and donor levels are formed. When O is substituted by C, acceptor levels are formed near the top of the valence band, and thus a p-type transformation of the system is achieved. When the two kinds of substitution coexist, the acceptor levels are compensated for all cases, which is unfavorable for the p-type transformation of the system.