(111)应变对立方相Ca_2P_(0.25)Si_(0.75)能带结构及光学性质的影响

采用第一性原理贋势平面波方法对(111)应变下立方相Ca2P0.25Si0.75的能带结构及光学性质进行模拟计算,全面分析了应变对其能带结构、光学性质的影响。计算结果表明:在-8%~0%压应变范围内,随着应变的逐渐增大导带向低能方向移动,价带向高能方向移动,带隙逐渐减小,但始终为直接带隙;在0%~2%张应变范围内,随着应变的增加,带隙逐渐增大,应变为2%时直接带隙达到最大Eg=0.60441 eV;当张应变为4%时,Ca2P0.25Si0.75变为间接带隙半导体。Ca2P0.25Si0.75的介电常数和折射率随着张应变的增加而增加;施加-2%~0%压应变时,介电常数和折射率逐渐减小,到达-2%时达到最小值,此后随着压应变的增加介电常数和折射率逐渐增大。施加压应变时吸收谱和反射谱随着应变的增大而减小,施加张应变时吸收谱和反射谱随着应变的增大而增大。应变可以改变立方相Ca2P0.25Si0.75的电子结构和光学常数,是调节其光电传输性能的有效手段。     

(100)应变对立方相Ca2P0.25Si0.75光电特性的影响

采用基于密度泛函理论(DFT)的第一性原理赝势平面波方法对(100)应变下立方相Ca2P0.25Si0.75的能带结构及光学性质进行了模拟计算。计算结果表明:在90%~100%的压应变范围,立方相Ca2P0.25Si0.75的带隙随着压应变增加逐渐减小;在100%~102%张应变范围,带隙随着张应变增加逐渐增大,张应变为102%时,带隙达到最大,Eg=0.513 9 eV;当张应变大于102%,立方相Ca2P0.25Si0.75转化为间接带隙半导体。在102%~120%应变范围,带隙随着应变增大而减小。当施加应变后立方相Ca2P0.25Si0.75的光学性质发生显著变化:增加压应变,立方相Ca2P0.25Si0.75的介电常数、折射率及吸收系数逐渐增加;增加张应变,反射率增加。因此,采用(100)应变可调制立方相Ca2P0.25Si0.75的能带结构和光学常数,是一种有效调节其光电传输性能的手段。     

外压调制对Cr-Se共掺杂单层MoS2光电特性的影响

采用基于第一性原理的贋势平面波方法,对比研究了Cr-Se共掺杂单层MoS2未施应变和(0001)面施加应变的光电特性。计算结果表明:未施加应变体系属直接带隙半导体,张应变下体系的带隙值随应变增加而减小,压应变下带隙值随应变增加先增加后减小,在应变为-6%时转化为Γ-M间接带隙半导体,带隙值达到极大值1.595eV;介电函数和折射率随张应变的增加而增加,随压应变增加先减小后增大,在压应变为-6%时达到极小值3.627和1.905;光电导率和能量损失函数随张应变增加而减小,随压应变增加先增加后减小,应变分别为-5%和-2%时达到极大值2.588和9.428。可见,应变能更精细地调制Cr-Se共掺杂单层MoS2的光电特性。     

Ca_2P_xSi_(1-x)能带结构及光学性质的第一性原理计算

采用基于第一性原理的贋势平面波方法,对不同P掺杂浓度正交相Ca2Si的几何结构、能带结构、态密度和光学性质进行计算,比较不同浓度P掺杂的几何结构、电子结构和光学性质。对不同P含量下Ca2PxSi1-x的几何结构比较研究得出:随着P浓度增加Ca2PxSi1-x的晶格常数a、c减小,b增加,体积减小;掺杂浓度对电子结构的影响主要体现在P掺杂Ca2Si使得费米面向导带偏移,且随着掺杂浓度的增加而更深入地嵌入导带中,费米面附近由Ca-d Si-p及P-p电子构成的导带和价带均向低能方向移动,带隙随着掺杂浓度的增大而增大;掺杂浓度对光学性质同样有较大的影响,Ca2PxSi1-x的静态介电函数、折射率随着P掺杂浓度的增加而增加,而反射谱随着P掺杂浓度的增加而减小。适当的P掺杂能够提高Ca2Si对光的吸收系数和折射率,降低光的反射,提高了Ca2Si的光电转换效率。     

Si基外延Ca_2Si电子结构的计算

采用基于第一性原理的赝势平面波方法,对异质外延关系为Ca2Si(001)//Si(100),取向关系为Ca2Si[100]//Si[110]立方相的Ca2Si平衡体系下能带结构、态密度等进行了理论计算。计算结果表明:当原胞的晶格常数a取值为0.490nm时,立方相Ca2Si处于稳定状态并且是具有带隙值为0.6402eV的直接带隙半导体;其价带主要是由Si的3s、3p态电子和Ca的3s、3p态电子构成,导带主要是由Ca的3d态电子构成。     

不同浓度Ti掺杂Ca2Si电子结构及光学性质的研究

采用第一性原理方法计算不同Ti含量Ca_2Si的几何结构、能带结构、电子态密度及光学性质。几何结构和电子结构的计算结果表明,Ti掺杂使Ca_2Si的晶格常数a增大,b、c减小,晶胞体积减小。Ca_(2-x)Ti_xSi的带隙变宽,其中掺杂浓度为4.2%时带隙最大为0.55 eV,费米面进入导带,导电类型为n型。Ti的掺入削弱了Ca的3d态电子贡献,费米能级附近电子态密度仍主要由Ca-3d态电子贡献。光学性质的计算结果表明,Ti掺入后介电函数虚部、吸收系数向低能端偏移,光学跃迁强度减弱,反射率在E=0 eV处增大。     

Na-Bi共掺对Cu2ZnSnS4薄膜性能的影响

Cu₂ZnSnS₄(CZTS)薄膜因其元素储量高、较佳的光学带隙、优异的电学性能等优势而得到广泛关注。以硝酸铋为铋源、乙酸钠为钠源,采用溶胶-凝胶法制备Na-Bi掺杂的CZTS薄膜。研究Na-Bi共掺对CZTS薄膜的物相结构、微观形貌、光学性能以及光电性能的影响。结果表明,制备的薄膜为锌黄锡矿结构。Na和Bi元素的掺入对薄膜的微观形貌影响较大。固定Na的原子数分数为1%,随着Bi元素原子数分数的增加,薄膜的晶粒尺寸先增大后减小,均匀性逐渐提高,光敏性先增大后减小,光学带隙逐渐增大。当Na和Bi原子数分数分别为1%和0.5%时,薄膜的光学带隙为1.42 eV,光敏性最佳为1.17。     

二维光子晶体1.55μm带隙中心的优化设计

利用平面波展开法对正方晶格二维光子晶体带隙随结构参数的变化进行了研究,计算结果表明,能带频率随着归一化半径r/a的增大有减小的趋势,带隙宽度是先增大后减小.带隙宽度随介电常数比ε的变大而增加,能带频率有减小的趋势.当格子常数a=0.594μm,r/a=0.16,ε=13时得到能带中心波长为1.55μm,最大能带归一化频率宽度为0.15.     

大带隙2维正方晶格光子晶体的优化设计

为了研究2维正方晶格光子晶体的完全带隙特性,采用平面波展开方法模拟了两种结构2维光子晶体,在固定光子晶体周期常数a的前提下,研究了2维正方晶格光子晶体的完全禁带随柱半径和折射率的变化规律。结果表明,以空气为背景的锗介质柱组成的光子晶体,随着半径的增大,完全带隙宽度先增大后减小最后消失,填充比为38.3%时,同时增大介质柱的介电常数,在介质柱折射率为4.2处,完全带隙最大,带宽是0.02754(ωa/(2πc));以锗为背景的空气柱组成的光子晶体,光子禁带对应的无量纲频率随半径的增大而增大,填充比为48.3%时,同时增大背景介质的介电常数,出现多个完全带隙,在背景折射率为6.2处,完全禁带最大,带宽为0.02922(ωa/(2πc))。光子晶体带隙的频谱响应也表明了完全带隙的范围。这为大带隙2维正方晶格光子晶体的设计和制备提供了依据。     

无序一维三元光子晶体的能带特性研究

运用光学传输矩阵理论，研究了具有无序结构的一维三元光子晶体的能带特性。结果表明，与周期结构相比，无序结构可以显著地拓宽光子晶体的光子带隙；随取无序膜层数目的增加，带隙逐渐变宽，3种折射率介质均取无序的情况下，带隙拓宽到550～1800nm的区间范围，是周期结构光子晶体带隙宽度的2倍多。讨论了无序度、不同折射率分布对带隙的影响，随着无序度和高低折射率的差别的增大，带隙变宽。     

Quantum-well Hall devices in Si-delta-dopedAl0.25Ga0.75As/GaAs and pseudomorphic Al0.25Ga0.75As/In0.25Ga0.75As/GaAsheterostructures grown by LP-MOCVD: performance comparisons

Characterized herein are quantum-well Hall devices in Si-delta-doped Al_0.25Ga_0.75As/GaAs and pseudomorphic Al_0.25Ga_0.75As/In_0.25Ga _0.75As/GaAs heterostructures, grown by low-pressure metal organic chemical vapor deposition method. The Si-delta-doping technique has been applied to quantum-well Hall devices for the first time. As a result high electron mobilities of 8100 cm^-2/V·s with a sheet electron density of 1.5×10¹² cm^-2 in Al_0.25Ga_0.75As/In_0.25Ga_0.75 As/GaAs structure and of 6000 cm^-2/V·s with the sheet electron density of 1.2×10¹² cm^-2 in Al_0.25Ga_0.75As/GaAs structure have been achieved at room temperature, respectively. From Hall devices in Al_0.25Ga_0.75As/In_0.25Ga_0.75 As structure, the product sensitivity of 420 V/AT with temperature coefficient of -0.015 %/K has been obtained. This temperature characteristic is one of the best result reported. Additionally, a high signal-to-noise ratio corresponding to the minimum detectable magnetic field of 45 nT at 1 kHz and 75 nT at 100 Hz has been attained. These resolutions are among the best reported results     

Superconductivity in Hg-Substituted BaPb0.75Bi0.25O3

A series of Hg-doped BaPb0.75Bi0.25O3 with a nominal composition of BaPb0.75-xHgxBi0.25O3 (x=0 to 0.40 with 0.05 intervals) have been synthesized by solid-state reaction. These compounds exhibit a cubic perovskite-related structure with the lattice parameter being expanded by Hg doping. Superconducting transition temperature Tc and superconducting volume fraction are suppressed by Hg doping in the low doping level region (0x0.25). However, further increasing Hg content makes the superconductivity recovered at x0.3. The superconductivity suppression in Hg-doped BaPb0.75Bi0.25O3 can be explained by the decrease of electron carrier concentration as well as the bandnarrowing-induced electron localization.     

Fabrication of In0.25Ga0.75As/InGaAsPstrained SQW lasers on In0.05Ga0.95As ternarysubstrate

A uniform In_0.05Ga_0.95As ternary substrate was grown by using liquid encapsulated Czochralski (LEC) technique with a method of supplying GaAs source material at a constant temperature, and InGaAs/InGaAsP strained single quantum well (SQW) lasers were fabricated on the substrate for the first time. The lasers lased at 1.03 μm and exhibited low threshold current density of 222 A/cm² and excellent characteristic temperature of 221 K, showing that the ternary substrate has a sufficient quality for laser fabrication     

60-GHz pseudomorphicAl0.25Ga0.75As/In0.28Ga0.72As low-noise HEMTs

V-band low-noise planar-doped pseudomorphic (PM) InGaAs high electron mobility transistors (HEMTs) were fabricated with an indium mole fraction of 28% in the InGaAs channel. A device with 0.15-μm T-gate achieved a minimum noise figure of 1.5 dB with an associated gain of 6.1 dB at 61.5 GHz     

Carrier capture and escape processes inIn0.25Ga0.75As-GaAs quantum-well lasers

We have extracted the ratio between the carrier capture and escape times, η, for In_0.25Ga_0.75As-GaAs lasers containing one, two, or three quantum wells, from high-frequency subthreshold impedance measurements at different temperatures. Our results show that the carrier capture process dominates over the diffusion along the confinement region in the overall transport/capture process. The obtained value for η is comparable to unity, and this fact has to be taken into account to obtain real material parameters, such as the carrier lifetime and the radiative recombination coefficient     

Influence of quantum-well width on device performance ofAl0.30Ga0.70As/In0.25Ga0.75As (on GaAs) MODFETs

An experimental study in which the quantum well width (W) is varied from 45 to 200 Å is discussed. Optimum device performance was observed at a well width of 120 Å. The 0.2-μm×130-μm devices with 120-Å quantum-well width typically exhibit a maximum channel current density of 550 mA/mm, peak transconductance of 550 mS/mm, and peak current gain cutoff frequency ( f_T) of 122 GHz. These results have been further improved in subsequent fabrications employing a trilevel-resist mushroom-gate process. The 0.2-μm×50-μm devices with mushroom gate exhibit a peak transconductance of 640 mS/mm, peak f _T of 100 GHz, and best power gains cutoff frequency in excess of 200 GHz. These results are among the best ever reported for GaAs-based FETs and are attributed to the high two-dimensional electron gas (2DEG) sheet density, good low-field mobility, low ohmic contact, and the optimized mushroom gate process     

22 nm In0.75Ga0.25As channel-based HEMTs on InP/GaAs substrates for future THz applications

In this work, the performance of L_g=22 nm In_0.75Ga_0.25As channel-based high electron mobility transistor (HEMT) on InP substrate is compared with metamorphic high electron mobility transistor (MHEMT) on GaAs substrate. The devices features heavily doped In_0.6Ga_0.4As source/drain (S/D) regions, Si double δ-doping planar sheets on either side of the In_0.75Ga_0.25As channel layer to enhance the transconductance, and buried Pt metal gate technology for reducing short channel effects. The TCAD simulation results show that the InP HEMT performance is superior to GaAs MHEMT in terms of f_T, f_max and transconductance (g_{m_max}). The 22 nm InP HEMT shows an f_T of 733 GHz and an f_max of 1340 GHz where as in GaAs MHEMT it is 644 GHz and 924 GHz, respectively. InGaAs channel-based HEMTs on InP/GaAs substrates are suitable for future sub-millimeter and millimeter wave applications.     

InP-based enhancement-mode pseudomorphic HEMT with strainedIn0.45Al0.55As barrier andIn0.75Ga0.25As channel layers

Using strained aluminum-rich In_0.45Al_0.55As as Schottky contact materials to enhance the barrier height and indium-rich In_0.75Ga_0.25As as channel material to enhance the channel performance, we have developed InP-based enhancement-mode pseudomorphic InAlAs/InGaAs high electron mobility transistors (E-PHEMT's) with threshold voltage of about 170 mv. A maximum extrinsic transconductance of 675 mS/mm and output conductance of 15 mS/mm are measured respectively at room temperature for 1 μm-gate-length devices, with an associated maximum drain current density of 420 mA/mm at gate voltage of 0.9 V. The devices also show excellent rf performance with cutoff frequency of 55 GHz and maximum oscillation frequency of 62 GHz. To the best of the authors' knowledge, this is the first time that InP-based E-PHEMT's with strained InAlAs barrier layer have been demonstrated     

In0.25Ga0.75As/AlAs-based resonant tunnelingdiodes grown on prepatterned and nonpatterned GaAs (100) substrates

The DC current-voltage characteristics of strained In_0.25 Ga_0.75As/AlAs resonant tunneling diode (RTD) structures grown on GaAs (100) substrates which also include prepatterned mesas are discussed. The observed peak-to-valley current ratios (PVRs) of 4.5 at 300 K and 15 to 77 K with corresponding peak current densities of 11 and 13 kA/cm² are the highest values of PVR to date for this strained system and are the same for the nonpatterned and prepatterned regions     

Hot electron effects on Al0.25Ga0.75As/GaAspower HFET's under off-state and on-state electrical stress conditions

This work shows a detailed comparison of the degradation modes caused by off-state and on-state room temperature electrical stress on the DC characteristics of power AlGaAs/GaAs heterostructure field effect transistors (HFET's) for X- and Ku-band applications. The devices are stressed under DC bias conditions that result in electron heating and impact ionization in the gate-drain region. Incremental stress experiments carried out at gate-drain reverse currents up to 3.3 mA/mm (for a total of more than 700 h) show a remarkably larger degradation for the off state stress, due to more pronounced electron heating at any fixed value of gate reverse current. This represents an important piece of information for the reliability engineer when it comes to designing the accelerated stress experiments for hot electron robustness evaluation. The degradation modes observed, all of a permanent nature, include threshold voltage and drain resistance increase and drain current and transconductance reduction