用电化学沉积法制备ZnO/Cu2O异质p-n结

由于P型ZnO的制备仍然存在一定的困难,限制了ZnO在光电方面的应用,尤其是在发光二极管和激光器的实际应用,目前利用P型的透明半导体氧化物与n型ZnO制备异质p-n结,成为新的研究热点。选择P型导电Cu2O与ZnO制备出异质p-n结。Cu2O是一种典型的P型半导体材料,禁带宽度为2．1eV,可见光范围的吸收系数较高。首次利用电化学沉积的方法制备了ZnO／Cu2O异质p-n结,研究了电沉积ZnO,Cu2O的生长机制和ZnO／Cu2O异质结的结构、光学和电学特性。     

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.     

Valence-band offset of p-NiO/n-ZnO heterojunction measured by X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy was used to measure the valence-band offset (VBO) of the NiO/ZnO heterojunction grown on quartz substrate by radio frequency (RF) magnetron sputtering. Core levels of Ni 2p and Zn 2p were used to align the VBO of p-NiO/n-ZnO heterojunction. The valence-band offset (ΔEV) is determined to be 1.47 eV. According to the band gap of 3.7 eV for NiO and 3.37 eV for ZnO, the conduction-band offset (ΔEC) in the structure was calculated to be 1.8 eV, and it has a type-II band alignment.     

Band alignment of Ga2O3/6H-SiC heterojunction

A high-quality Ga₂O₃ thin film is deposited on an SiC substrate to form a heterojunction structure. The band alignment of the Ga₂O₃/6H-SiC heterojunction is studied by using synchrotron radiation photoelectron spectroscopy. The energy band diagram of the Ga₂O₃/6H-SiC heterojunction is obtained by analysing the binding energies of Ga 3d and Si 2p at the surface and the interface of the heterojunction. The valence band offset is experimentally determined to be 2.8 eV and the conduction band offset is calculated to be 0.89 eV, which indicate a type-II band alignment. This provides useful guidance for the application of Ga₂O₃/6H-SiC electronic devices.     

Band offsets at ZnO/SiC heterojunction: Heterointerface in band alignment

Pulsed laser deposited ZnO layers on 6H-SiC substrates showed the six-fold symmetry, indicating a two-dimensional epitaxial growth mode. X-ray photoelectron spectroscopy was employed to study the valence band discontinuity and interface formation in the ZnO/6H-SiC heterojunction. The valence band offset was measured to be 1.38 ± 0.28 eV, leading to a conduction band offset value of 1.01 ± 0.28 eV. The resulting band lineup in epitaxial ZnO/6H-SiC heterojunction is determined to be of staggered-type alignment.     

第一性原理的广义梯度近似+U方法的纤锌矿Zn1-xMgxO极化特性与Zn0.75Mg0.25O/ZnO 界面能带偏差研究

在纤锌矿结构Zn_1-xMg_xO/ZnO异质结构中发现了高迁移率的二维电子气(2DEG), 2DEG 的产生很可能是由于界面上存在不连续极化, 而且2DEG通常也被认为是由极化电荷产生的结果. 为了探索2DEG的形成机理及其产生的根源, 研究Zn_1-xMg_xO合金的极化特性与ZnO/Zn_1-xMg_xO超晶格的能带排列是非常必要的. 基于第一性原理广义梯度近似+U方法研究了Zn_1-xMg_xO合金的自发极化随Mg组分x的变化关系, 其中极化特性的计算采用Berry-phase方法. 由于ZnO与Zn_1-xMg_xO 面内晶格参数大小相当, ZnO 与Zn_1-xMg_xO 的界面匹配度优良, 所以ZnO/Zn_1-xMg_xO 超晶格模型较容易建立. 计算了Mg_0.25Zn_0.75O/ZnO超晶格静电势的面内平均及其沿着Z(0001)方向上的宏观平均. (5+3)Mg_0.25Zn_0.75O/ZnO超晶格拥有较大的尺寸, 确保远离界面的Mg_0.25Zn_0.75O与ZnO区域与块体计算情况一致. 除此之外, 基于宏观平均为能量参考, 计算得到Mg_0.25Zn_0.75O/ZnO超晶格界面处价带偏差为0.26 eV, 并且导带偏差与价带偏差的比值处于合理区间, 这与近来实验上报道的结果相符. 除了ZnO在[0001]方向上产生自发极化外, 由于在ZnO中引入Mg杂质会产生应变应力, 导致Mg_xZn_1-xO层产生额外的极化值. 这样必然会在Mg_0.25Zn_0.75O/Zn界面处产生非连续极化现象, 促使单极性电荷在界面处积累, 从而在Mg_0.25Zn_0.75O/Zn超晶格中产生内在电场. 此外, 计算了Mg_0.25Zn_0.75O/ZnO超晶格的能带排列, 由于价带偏差Δ E_V=0.26 eV与导带偏差ΔE_C=0.33 eV, 表明能带遵循I型排列. Mg_0.25Zn_0.75O/ZnO 的这种能带排列方式足以让电子与空穴在势阱中产生禁闭作用. 2DEG在电子学与光电子学领域都有重要应用, 本文的研究结果将对Mg_0.25Zn_0.75O/ZnO 界面2DEG的设计与优化中起到重要作用, 并且可以作为研究其他Mg组分的Mg_xZn_1-xO/ZnO超晶格界面电子气特性的参考依据.     

Energy band alignment of MgO (111)/ZnO (0002) heterojunction determined by X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy (XPS) was used to measure the energy discontinuity in the MgO (111)/ZnO (0002) heterostructure. The valence band offset (VBO) was determined to be 1.22±0.23 eV and a type-I heterojunction with a conduction band offset (CBO) of 3.24±0.23 eV was obtained. The discrepancy of VBO values between MgO/ZnO and ZnO/MgO heterojunctions was mainly attributed to the internal electric field induced by spontaneous polarization effect in ZnO layer.     

利用同步辐射光电子能谱技术测量ZnO/PbTe异质结的能带带阶

异质结结构界面的能带带阶是一个非常重要的参数,该参数的精确确定直接影响异质结的光电性质研究以及异质结在光电器件上的应用.利用同步辐射光电子能谱技术测量了ZnO/PbTe异质结结构的能带带阶.测量得到该异质结价带带阶为2.56 eV,导带带阶为0.49 eV,是一个典型的类型I的能带排列.利用变厚度扫描的测量方法发现,ZnO/PbTe界面存在两种键,分别是Pb—O键(低结合能)和Pb—Te键(高结合能).在ZnO/PbTe异质结界面的能带排列中导带带阶较小,而价带带阶较大,这一能带结构有利于PbTe中的激发电子输运到ZnO导电层中.该类结构在新型太阳电池、中红外探测器、激光器等器件中具有潜在的应用价值.     

GGA+U方法研究ZnO孪晶界对V_(Zn)-N_O-H复合体对p型导电性的影响

采用基于密度泛函理论的广义梯度近似平面波赝势方法,探究四种ZnO-Σ7(1230)孪晶界中V_(Zn)-N_O-H复合体的电子结构和p型导电机理.计算结果表明,在ZnO-Σ7(1230)孪晶界中,N掺杂后会与锌空位(V_(Zn))、氢填隙(Hi)等点缺陷结合,进而形成V_(Zn)-N_O-H复合体,并出现在孪晶中的晶格应变集中区.此外,四种孪晶界中孪晶GB7a有利于V_(Zn)-N_O-H离化能降低,从而使其表现出浅受主特征.分析显示特殊的孪晶结构导致了氮替位(N_O)与近邻的O原子间距离缩短,阴离子之间发生相互作用,导致禁带中的空带能级下降,降低了电子跃迁所需能量.这一结果也说明GB7a孪晶界中的V_(Zn)-N_O-H可能成为N掺杂ZnO材料的p型导电的来源之一.     

Determination of band alignment between GaOx and boron doped diamond for a selective-area-doped termination structure

An n-GaO_x thin film is deposited on a single-crystal boron-doped diamond by RF magnetron sputtering to form the pn heterojunction. The n-GaO_x thin film presents a small surface roughness and a large optical band gap of 4.85 eV. In addition, the band alignment is measured using x-ray photoelectron spectroscopy to evaluate the heterojunction properties. The GaO_x/diamond heterojunction shows a type-II staggered band configuration, where the valence and conduction band offsets are 1.28 eV and 1.93 eV, respectively. These results confirm the feasibility of the use of n-GaO_x as a termination structure for diamond power devices.     

Energy band alignment of PbTe/CdTe(111) interface determined by ultraviolet photoelectron spectra using synchrotron radiation

The energy band structure with type-I alignment at the PbTe/CdTe(111) heterojunction interface is determined by the ultraviolet photoelectron spectrum using synchrotron radiation.The valence band and conduction band offsets are obtained to be 0.09±0.12 and 1.19±0.12 eV,respectively.These results are in agreement with theoretically predicted ones.The accurate determination of the valence band and conduction band offsets is useful for the fundamental understanding of the mid-infrared light emission from the PbTe/CdTe heterostructures and its application in devices.     

Band alignment at the In2S3/Cu2ZnSnS4 heterojunction interface investigated by X-ray photoemission spectroscopy

The band alignment at the In₂S₃/Cu₂ZnSnS₄ heterojunction interface is investigated by X-ray photoemission spectroscopy. In₂S₃ is thermally evaporated onto the contamination-free polycrystalline Cu₂ZnSnS₄ surface prepared by magnetron sputtering. The valence band offset is measured to be 0.46 ± 0.1 eV, which matches well with the valance band offset value 0.49 eV calculated using “transitivity” method. The conduction band offset is determined to be 0.82 ± 0.1 eV, indicating a ‘type I’ band alignment at the heterojunction interface.     

ZnMgO/n-ZnO/ZnMgO/p-GaN异质结LED的紫外电致发光

利用等离子体辅助分子束外延( P-MBE)技术制备了ZnMgO/n-ZnO/ZnMgO/p-GaN异质结LED.Ni/Au电极与p-GaN、In电极与ZnMgO之间都形成了良好的欧姆接触.在ZnMgO/n-ZnO/ZnMgO/p-GaN异质结器件中观察到了明显的整流特性.异质结的电致发光强度随着注入电流的增大而逐渐增强...     

Valence and conduction band offset measurements in Ni0.07Zn0.93O/ZnO heterostructure

We report valence and conduction band offset measurements in a pulsed laser deposited Ni_0.07Zn_0.93O/ZnO heterostructure using X-ray photoelectron spectroscopy, valence band spectroscopy and ultraviolet visible spectroscopy. Neglecting the strain effect, the valence band offset was estimated to be 0.32 eV and the conduction band offset comes out to be −0.23 eV. Ratio between conduction band and valence band offset is 0.72. Core level shifting due to Ni doping has also been explained. Magnetotransport study of Ni_0.07Zn_0.93O film reveals that the charge carriers might be spin polarized at the interface of the heterojunction.     

Calculation of band offset in chalcopyrite system

A recently reformulated tight binding method is used to calculate valence band offset (VBO) at the CuInSe₂/CuGaSe₂ heterojunction. The hybrid energy is calculated in the s²p² configuration and a new model for the average hybrid energy is used. The theoretical VBO value of 0.05 eV is in good agreement with recent experimental value of 0.04 eV. The value of conduction band offset is 0.60 eV giving a type I alignment. The VBO varies linearly with bond length difference (l), as VBO=(0.24)l.     

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 X-ray 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.     

Probing the electronic structure of ZnO nanowires by valence electron energy loss spectroscopy

Valence electron energy loss spectroscopy in a transmission electron microscope is employed to investigate the electronic structure of ZnO nanowires with diameter ranging from 20 to 100 nm. Its excellent spatial resolution enables this technique to explore the electronic states of a single nanowire. We found that all of the basic electronic structure characteristics of the ZnO nanowires, including the 3.3 eV band gap, the single electron interband transitions at approximately = 9.5, approximately = 13.5,and approximately = 21.8 eV, and the bulk plasmon oscillation at approximately 18.8 eV, resemble those of the bulk ZnO. Momentum transfer resolved energy loss spectra suggest that the 13.5 eV excitation is actually consisted of two weak excitations at approximately = 12.8 and approximately = 14.8 eV, which originate from transitions of two groups of the Zn 3d electrons to the empty density of states in the conduction band, with a dipole-forbidden nature. The energy loss spectra taken from single nanowires of different diameters show several size-dependent features, including an increase in the oscillator strength of the surface plasmon resonance at approximately = 11.5 eV, a broadening of the bulk plasmon peak, and splitting of the O 2s transition at approximately = 21.8 eV into two peaks, which coincides with a redshift of the bulk plasmon peak, when the nanowire diameter decreases. All these observations can be well explained by the increased surface/volume ratio in nanowires of small diameter.     

Mg掺杂ZnO纳米晶的低温共沉淀法制备及光学性质

采用共沉淀(co-precipitation)法制备了Mg掺杂ZnO纳米晶,分别用X射线衍射(XRD)、傅立叶变换红外光谱(FTIR)、紫外可见吸收(UV-Vis)光谱、光致发光(PL)光谱、透射电镜(TEM)、电子顺磁共振(EPR)等分析手段对样品进行了表征。探究了Mg离子在ZnO纳米晶中的存在状态,ZnO纳米晶颗粒尺寸和发射光谱随Mg掺杂浓度的变化,并对其发光机理进行了分析。结果表明:Mg离子在ZnO晶格中以部分晶格位,部分间隙位的方式存在,没有形成MgO表面壳层结构;随Mg掺杂浓度的增大,ZnO纳米晶的颗粒尺寸变小,发射光的光强增大。发射光的最佳激发波长为342nm,中心波长为500nm,荧光量子产率为22.8%。实验分析表明:Mg离子的掺杂在ZnO纳米晶中引入了锌空位(VZn),间隙位的镁离子(IMg),提供了新的复合中心,从而增强了ZnO纳米晶的光致发光。     

Analysis of Effect of Zn(O,S) Buffer Layer Properties on CZTS Solar Cell Performance Using AMPS

The Cu_2ZnSnS_4(CZTS)-based solar cell is numerically simulated by a one-dimensional solar cell simulation software analysis of microelectronic and photonic structures(AMPS-ID).The device structure used in the simulation is Al/ZnO:Al/nZn(O,S)/pCZTS/Mo.The primary motivation of this simulation work is to optimize the composition in the ZnO_(1-x)S_x buffer layer,which would yield higher conversion efRciency.By varying S/(S+0) ratio x,the conduction band offset(CBO) at CZTS/Zn(0,S) interface can range from-0.23 eV to 1.06 eV if the full range of the ratio is considered.The optimal CBO of 0.23 eV can be achieved when the ZnO_(1-x)S_x buffer has an S/(S+0) ratio of 0.6.The solar cell efRciency Rrst increases with increasing sulfur content and then decreases abruptly for x 0.6,which reaches the highest value of 17.55%by our proposed optimal sulfur content x = 0.6.Our results provide guidance in dealing with the ZnO_(1-x)S_x buffer layer deposition for high efficiency CZTS solar cells.     

XPS and UPS study on band alignment at Pt-Zn-terminated ZnO(0 0 0 1) interface

The interface between Pt and Zn-terminated ZnO(0 0 0 1) was investigated by X-ray and ultra violet photoelectron spectroscopy in order to examine electronic band alignment. An angle-resolved X-ray photoelectron spectroscopy measurement of the clean ZnO(0 0 0 1) surface has revealed a downward band bending by 0.25 eV. The results of the valence band analysis show that the work function and the valence band maximum of clean ZnO(0 0 0 1) were 4.49 eV and 2.79 eV, respectively. Platinum was then deposited in several deposition steps onto a clean ZnO(0 0 0 1) surface up to 0.6 nm in thickness. After the deposition, the binding energy of Zn 2p doublet peak was shifted towards lower value by 0.77 eV, and the measured work function changed to 5.51 eV. As a result, the Schottky barrier height of Pt/ZnO(0 0 0 1) interface was 1.11 eV.