Materials Science in Semiconductor Processing最新文献_第6页

Novel oxygen vacancies-rich 3D porous ZnO for highly sensitive 3-hydroxy-2-butanone biomarker gas sensors 用于高灵敏度 3-hydroxy-2-butanone 生物标记气体传感器的新型富氧空位三维多孔氧化锌

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-19 DOI: 10.1016/j.mssp.2024.109021

Listeriosis can cause human death via infection by Listeria monocytogenes (LMs) with a high fatality rate of 20–30 %. Detection of 3-hydroxy-2-butanone (3H-2B) biomarker of LMs can achieve estimation of LMs content, which is of great significance for human health. Exploring porous metal oxide semiconductors (MOSs) with rich vacancies towards 3H-2B sensing is quite promising for achieving this goal. Herein, we report a highly sensitive 3H-2B sensor based on novel 3D porous ZnO with rich oxygen vacancies which was facilely obtained by sacrificing Zn foam in oxalic acid and subsequent thermal decomposition. The ZnO sensor displays ultrahigh sensor response of R_a/R_g = 328@5 ppm, super-low detection limit of 0.001 ppm, excellent cycling stability and selectivity and good linear response at 120 °C, showing great potential for precise detection of 3H-2B biomarker. The porous structure and increased oxygen vacancies contribute greatly to the adsorption of active oxygen species therefore the sensing reactions on ZnO surface, which accounts for the high sensing performance. Our work provides an ingenious strategy to produce novel 3D ZnO with rich oxygen vacancies as well as new insights for boosting the detection of LMs.

李斯特菌病可通过单核细胞增生李斯特菌（LMs）感染导致人类死亡，致死率高达 20-30%。检测李斯特菌的 3-hydroxy-2-butanone (3H-2B) 生物标记物可以估算李斯特菌的含量，这对人类健康意义重大。探索具有丰富空位的多孔金属氧化物半导体（MOSs）来实现 3H-2B 传感是非常有希望实现这一目标的。在此，我们报告了一种基于具有丰富氧空位的新型三维多孔氧化锌的高灵敏度 3H-2B 传感器。这种氧化锌传感器具有 Ra/Rg = 328@5 ppm 的超高传感器响应、0.001 ppm 的超低检测限、优异的循环稳定性和选择性以及 120 °C 下良好的线性响应，显示出精确检测 3H-2B 生物标记物的巨大潜力。多孔结构和氧空位的增加极大地促进了活性氧的吸附，从而使 ZnO 表面发生了传感反应，这也是其具有高传感性能的原因。我们的研究为制备具有丰富氧空位的新型三维氧化锌提供了一种巧妙的策略，也为提高 LMs 检测能力提供了新的见解。

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引用次数: 0

Unveiling the role of superalkali dopants in augmented nonlinear optical response of C13H10F12 Janus molecule – A DFT study 揭示超碱掺杂剂在增强 C13H10F12 Janus 分子非线性光学响应中的作用 - DFT 研究

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-12 DOI: 10.1016/j.mssp.2024.108995

Design of new strategies to deliver materials with enhanced nonlinear optical (NLO) response is an active area of research. In this regard, we designed a comparatively less explored class of NLO materials which is superalkalide-based Janus molecules. We have designed (M₃O-1-M′₃O; M & M' = Li, Na, K) complexes involving superalkali as a source of excess electrons for superalkali through extended Janus molecule C₁₃H₁₀F₁₂. The complexes show high NLO response with the hyperpolarizability values of up to 1.46 × 10⁵ a. u. The designed complexes show electronic stability which is supported by global reactivity descriptors (GRD) and electronic properties like frontier molecular orbital (FMO) analyses. Moreover, the thermodynamic stability of the designed complexes upon doping of superalkali on C₁₃H₁₀F₁₂ is corroborated via interaction energy analysis (−3.01 to −6.31 eV). Similarly, UV–Vis analysis showed that studied complexes are transparent in deep UV regions. Frequency dependent hyperpolarizability results at high wavelength (ω = 1339 and 1906 nm) laser beams show remarkable enhancement in NLO response. Therefore, such materials can be customized and tunned for different applications in optical and electronic devices. Moreover, proposing such materials will open up further possibilities in crafting NLO complexes.

设计新策略以提供具有增强非线性光学（NLO）响应的材料是一个活跃的研究领域。在这方面，我们设计了一类探索相对较少的 NLO 材料，即超醛基 Janus 分子。我们设计了 (M3O-1-M′3O; M & M' = Li, Na, K) 复合物，通过扩展的 Janus 分子 C13H10F12 将超碱作为超碱的过剩电子源。所设计的配合物显示出电子稳定性，这一点得到了全局反应性描述符（GRD）和电子特性（如前沿分子轨道分析）的支持。此外，通过相互作用能分析（-3.01 至 -6.31eV），还证实了在 C13H10F12 上掺入超碱后所设计配合物的热力学稳定性。同样，紫外可见光分析表明，所研究的配合物在深紫外区是透明的。在高波长（ω = 1339 和 1906 nm）激光束下的频率相关超极化率结果表明，NLO 响应显著增强。因此，这种材料可以针对光学和电子设备的不同应用进行定制和调整。此外，提出这种材料将为制作 NLO 复合物提供更多可能性。

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引用次数: 0

High-quality p-type emitter using boron aluminum source for n-type TOPCon solar cells 用于 n 型 TOPCon 太阳能电池的高质量 p 型硼铝源发射极

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-12 DOI: 10.1016/j.mssp.2024.108989

In the current landscape of n-type Tunnel Oxide Passivated Contact (TOPCon) solar cell production, challenges persist with conventional gas boron sources used for the fabrication of p-type emitters, including their influence on emitter recombination and metal-semiconductor contact recombination. This research introduces a novel approach involving the diffusion of a boron-aluminum source via spin-coating, proposed as a replacement for the conventional gas boron source. This method facilitates a higher quality p-type emitter, at drive-in temperature of 900 °C and 30 min. The surface doping concentration of the p-type layer reached 3.18 × 10¹⁹ cm⁻³, with a peak doping concentration of 5.36 × 10¹⁹ cm⁻³. Studies show that the p-type emitter prepared with boron-aluminum source can reduce metal-semiconductor contact recombination and Auger recombination, due to its high surface doping concentration and shallow junction depth. Moreover, the overall process temperature for preparing p-type emitters with the boron-aluminum source is low, and the duration is short, which is advantageous for reducing energy consumption. Additionally, Quokka3 simulation results show that the efficiency of TOPCon solar cells prepared with the boron-aluminum source is 0.43 % higher than that of TOPCon cells prepared with the gaseous boron source.

在当前的 n 型隧道氧化物钝化接触（TOPCon）太阳能电池生产中，用于制造 p 型发射极的传统气体硼源一直面临挑战，包括其对发射极重组和金属-半导体接触重组的影响。这项研究介绍了一种新方法，即通过旋涂扩散硼铝源，以取代传统的气体硼源。这种方法有助于在 900 °C 和 30 分钟的驱动温度下获得更高质量的 p 型发射极。p 型层的表面掺杂浓度达到 3.18 × 1019 cm-3，峰值掺杂浓度为 5.36 × 1019 cm-3。研究表明，用硼铝源制备的 p 型发射极由于具有高表面掺杂浓度和浅结深度，可以减少金属-半导体接触重组和奥杰尔重组。此外，用硼铝源制备 p 型发射极的整体工艺温度低、持续时间短，有利于降低能耗。此外，Quokka3 仿真结果表明，使用硼铝源制备的 TOPCon 太阳能电池的效率比使用气态硼源制备的 TOPCon 电池高 0.43%。

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引用次数: 0

A novel preparation method of micron Ta2O5 film based on temperature-controlled thermal bubble resistor and its properties study 基于温控热气泡电阻器的新型微米级 Ta2O5 薄膜制备方法及其性能研究

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-12 DOI: 10.1016/j.mssp.2024.108967

The micro-scale Ta₂O₅ thin film is a material with increasing attention in the semiconductor field due to its excellent performance. However, the properties of such material prepared by complex processes and expensive equipment are still difficult to guarantee. This paper proposed a novel process method for preparing the micro-scale Ta₂O₅ film, which can realize the preparation of Ta₂O₅ on a single chip. The foundation of this method is temperature control of the thermal bubble resistor. In the absence of external devices, the frequency and heating time can be flexibly controlled by the written digital signals. On this basis, we used COMSOL to build a physical model of the thermal bubble nozzle. The simulation results showed that the nozzle produced a temperature of about 500∼750 °C, which proved the feasibility of this method. Finally, we designed and fabricated a thermal bubble printing chip integrated with 1104 nozzles, and realized the preparation of Ta₂O₅ films on it. The properties of Ta₂O₅ were analyzed using XPS, SEM, and 3D surface profilometer. The results demonstrated that the surface of the Ta₂O₅ film prepared by this method was compact and uniform. The thickness was approximately 400∼600 nm, and no crack were present. The surface roughness was up to 0.432 μm, indicating that the film had a high surface area. It is expected to be used in the design and development of miniaturized sensors in the future.

微尺度的 Ta2O5 薄膜因其优异的性能在半导体领域日益受到关注。然而，通过复杂的工艺和昂贵的设备制备出的此类材料，其性能仍然难以保证。本文提出了一种制备微尺度 Ta2O5 薄膜的新型工艺方法，可实现在单个芯片上制备 Ta2O5。该方法的基础是热气泡电阻的温度控制。在没有外部设备的情况下，可以通过写入的数字信号灵活控制频率和加热时间。在此基础上，我们利用 COMSOL 建立了热气泡喷嘴的物理模型。仿真结果表明，喷嘴产生的温度约为 500∼750 °C，证明了这种方法的可行性。最后，我们设计并制作了集成有 1104 个喷嘴的热气泡打印芯片，并在其上实现了 Ta2O5 薄膜的制备。利用 XPS、SEM 和三维表面轮廓仪分析了 Ta2O5 的性质。结果表明，该方法制备的 Ta2O5 薄膜表面致密、均匀。厚度约为 400∼600 nm，没有裂缝。表面粗糙度高达 0.432 μm，表明薄膜具有较高的表面积。该薄膜有望用于未来微型传感器的设计和开发。

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引用次数: 0

High thermal insulation and excellent thermal stability of ScCl3 monolayer: DFT study of electronic, phonon, magnetic, thermal, and optical properties 单层 ScCl3 的高隔热性和出色的热稳定性：电子、声子、磁、热和光学特性的 DFT 研究

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-07 DOI: 10.1016/j.mssp.2024.108981

The structural, electronic, phonon, magnetic, thermal, and optical properties of the trihalide material scandium trichloride, ScCl

_{3}

, in the form of 2D crystal structure is investigated via DFT studies. Ab-initio molecular dynamic, AIMD, simulations using NVT ensembles confirm excellent thermal stability of ScCl

_{3}

. Our calculations reveal that the ScCl

_{3}

is a stable semiconductor structure with band gap of

3.93 eV

(GGA) and

6.27 eV

(HSE06) with ionic bonds. We find flat bands in ScCl

_{3}

around the Fermi energy. The band gap and band structure are the same for both spin up and down exhibiting a non-magnetic behavior due to the balanced spin configurations. The calculated modes of the phonon band structure indicate dynamical stability, and the high phonon density of states at low frequencies displays efficient absorption of thermal vibrations further contributing to the stability. Additionally, the increased entropy and heat capacity plateau shape at higher temperatures regimes suggest a transition towards a more disordered state while maintaining efficient thermal energy absorption. However, the low-frequency phonon group velocities imply rapid heat transfer within the material leading to a decrease in lattice thermal conductivity with increasing temperature. Thus, a very small lattice thermal conductivity is seen for an ScCl

_{3}

monolayer. Finally, the response of ScCl

_{3}

to ultraviolet light, characterized by variations in the refractive index and optical conductivity, suggests potential applications in optoelectronic devices.

通过 DFT 研究探讨了二维晶体结构形式的三卤化物材料三氯化钪（ScCl3）的结构、电子、声子、磁性、热和光学特性。使用 NVT 组合进行的 Ab-initio 分子动力学模拟（AIMD）证实了 ScCl3 极佳的热稳定性。我们的计算显示，SCl3 是一种稳定的半导体结构，其离子键带隙为 3.93eV (GGA) 和 6.27eV (HSE06)。我们在 ScCl3 中发现了费米能附近的平坦带。由于自旋配置平衡，自旋向上和向下的带隙和带结构都是相同的，表现出一种非磁性行为。声子能带结构的计算模式显示了动态稳定性，低频处的高声子态密度显示了对热振动的有效吸收，进一步增强了稳定性。此外，在较高温度下，熵和热容量的高原形状增加，表明在保持高效热能吸收的同时，向更无序的状态过渡。然而，低频声子群速度意味着材料内部热量传递迅速，导致晶格热导率随温度升高而降低。因此，SCl3 单层的晶格热导率非常小。最后，SCl3 对紫外线的反应以折射率和光导率的变化为特征，这表明它有可能应用于光电设备。

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引用次数: 0

Structural, electronic, optical and thermoelectric properties of FrSnI3-xFx (X=0, 1, 2, 3) perovskites using the TB-mBJ approach 使用 TB-mBJ 方法研究 FrSnI3-xFx (X=0, 1, 2, 3) 包晶的结构、电子、光学和热电特性

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-07 DOI: 10.1016/j.mssp.2024.108979

In this study, we investigate the structural, optical, electronic, and thermoelectric properties of FrSnI_3-xFₓ (x = 0, 1, 2, 3) perovskites using density functional theory with the modified Becke-Johnson method (TB-mBJ) for exchange correlation functions. This research is the first theoretical investigation of these promising materials. Our results show that each variant of the perovskite exhibits p-type semiconductor behavior, and that the energy gap of FrSnI₃ can be tuned by substituting an iodine atom with fluorine. This substitution causes a significant variation in the energy gap, ranging from 1.169 eV to 2.951 eV. In particular, the FrSnI₂F compound stands out with a direct gap of 1.539 eV, making it an ideal candidate for solar cell applications. Optical properties, including real and imaginary dielectric function components, absorption and refractive indices, highlight the performance of these materials. Their high absorption capabilities suggest that these perovskites can be tailored and integrated into optical and optoelectronic devices in a variety of spectral ranges.

Furthermore, thermoelectric property calculations using BoltzTrap software show that FrSnI_3-xFₓ (x = 0, 1, 2, 3) has a promising Seebeck coefficient and an impressive figure of merit approaching unity at high temperatures. These results underscore the immense potential of these materials in thermoelectric applications, opening the door to new possibilities in energy conversion technology.

在本研究中，我们采用密度泛函理论和修正贝克-约翰逊法（TB-mBJ）研究了 FrSnI3-xFₓ (x = 0, 1, 2, 3) 包晶石的结构、光学、电子和热电特性。这项研究是对这些前景广阔的材料进行的首次理论研究。我们的研究结果表明，每种变体的包晶都表现出 p 型半导体特性，而且 FrSnI₃ 的能隙可以通过用氟取代碘原子来调整。这种替代会导致能隙发生显著变化，从 1.169 eV 到 2.951 eV 不等。其中，FrSnI₂F 化合物尤为突出，其直接能隙高达 1.539 eV，是太阳能电池应用的理想候选材料。包括实介电常数和虚介电常数成分、吸收率和折射率在内的光学特性凸显了这些材料的性能。此外，利用 BoltzTrap 软件进行的热电性能计算表明，FrSnI3-xFₓ（x = 0、1、2、3）具有良好的塞贝克系数，在高温下的优越性能接近于 1。这些结果凸显了这些材料在热电应用中的巨大潜力，为能源转换技术打开了新的可能性之门。

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引用次数: 0

Parametric studies of nanoscale through-silicon vias under the reflow in advanced packaging 先进封装中回流焊下的纳米级硅通孔参数研究

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-07 DOI: 10.1016/j.mssp.2024.108982

Nanoscale through silicon vias (nano-TSVs) has been developed for directly landing on buried power rails (BPR), forming a backside power delivery network (BSPDN) that optimizes the system performance. However, the structural dimensions and material properties of nano-TSVs are important factors for thermal stresses that can affect the reliability of 3D integrated circuits. In this paper, a parametric analysis of nano-TSV structures under the reflow based on BSPDN was carried out by the submodeling technique of finite element analysis (FEA). In addition to the stress analysis, the influences of parameters such as the aspect ratio, pitch-to-diameter ratio, thicknesses of insulation and barriers, and filler metals were investigated. The impact ranking was achieved through Taguchi numerical experimental design and statistical analysis. The results show that the aspect ratio of 10:2, the pitch/diameter greater than 10, and the thickness of insulation and barrier layers in nano-TSVs have less influence on the stress, and by comparing the signal-to-noise ratio, the significance of the factors is ranked as Pitch/Diameter > Thickness of Insulation and Barrier > Aspect Ratio for a uniform Si wafer thickness. Based on the stress analysis, it may be more appropriate to use tungsten instead of copper as the metal conducting layer. The conclusions help to improve the reliability design of nano-TSVs in advanced packages.

纳米级硅通孔（nano-TSVs）已被开发出来，可直接安装在埋入式电源轨（BPR）上，形成背面电源传输网络（BSPDN），从而优化系统性能。然而，纳米 TSV 的结构尺寸和材料特性是产生热应力的重要因素，会影响 3D 集成电路的可靠性。本文采用有限元分析（FEA）的子建模技术，对基于 BSPDN 的回流焊下的纳米 TSV 结构进行了参数分析。除应力分析外，还研究了高宽比、间距直径比、绝缘层和隔离层厚度以及填充金属等参数的影响。通过田口数值实验设计和统计分析实现了影响排序。结果表明，长宽比为 10:2、间距/直径大于 10 以及纳米 TSV 中绝缘层和阻挡层的厚度对应力的影响较小，通过比较信噪比，在硅片厚度均匀的情况下，各因素的重要性排序为间距/直径 > 绝缘层和阻挡层的厚度 > 长宽比。根据应力分析，使用钨而不是铜作为金属导电层可能更为合适。这些结论有助于改进先进封装中纳米 TSV 的可靠性设计。

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引用次数: 0

Effect of substitutional Sb doping on the structural stability, half-metallicity, elastic properties, electronic properties, and magnetism of the Co₂MnSn full Heusler compound 掺杂锑对 Co₂MnSn 全 Heusler 化合物的结构稳定性、半金属性、弹性特性、电子特性和磁性的影响

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-07 DOI: 10.1016/j.mssp.2024.108972

We conducted Density Functional Theory (DFT) calculations using the full potential linearized augmented plane wave (FP-LAPW) method to modify the Fermi level by introducing Sb doping into Co₂MnSn.This was done through the Generalized Gradient Approximation (GGA) and modified Becke-Johnson (mBJ-GGA) formalisms to enhance spin polarization and suggest signs of half-metallicity. For both ferromagnetic and paramagnetic phases, lattice optimization was performed to identify the stable magnetic structure. The results designate that the doped alloys are stable in a ferromagnetic phase with L2₁ structure. The calculated elastic constants suggest that the doped alloys meet the criteria for mechanical stability. The magnetism in these compounds is primarily due to the localized moments on the Mn and Co atoms. According to mBJ-GGA calculations, the total magnetic moment slightly increases with Sb doping. Analysis of the optical constants revealed the optoelectronic properties, confirming semiconducting behavior. Doping elements to achieve half-metallicity is demonstrated to be an effective method for discovering new materials suitable for spintronics applications.

我们使用全势能线性化增强平面波（FP-LAPW）方法进行了密度泛函理论（DFT）计算，通过在 Co2MnSn 中引入掺杂锑来改变费米级，并通过广义梯度近似（GGA）和修正的贝克-约翰逊（mBJ-GGA）形式来增强自旋极化并显示半金属性迹象。对铁磁性和顺磁性相都进行了晶格优化，以确定稳定的磁性结构。结果表明，掺杂合金在具有 L21 结构的铁磁相中是稳定的。计算得出的弹性常数表明，掺杂合金符合机械稳定性标准。这些化合物的磁性主要归因于锰原子和钴原子上的局部力矩。根据 mBJ-GGA 计算，掺入锑后总磁矩略有增加。对光学常数的分析揭示了其光电特性，证实了其半导体行为。事实证明，掺杂元素以实现半金属性是发现适合自旋电子学应用的新材料的有效方法。

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引用次数: 0

Structural, electronic, and optical properties of copper doped monolayer molybdenum disulfide: A density functional theory study 掺铜单层二硫化钼的结构、电子和光学特性：密度泛函理论研究

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-07 DOI: 10.1016/j.mssp.2024.108971

We conducted first-principles calculations to investigate the effect of doping monolayer molybdenum disulfide (MoS₂) with Cu in its structural, electronic, and optical properties. We found that Cu doping changes the material from an n-type semiconductor into a p-type semiconductor by shifting the Fermi energy level towards the valence band in all variations of concentration and site. The absorption coefficient, photoconductivity, and reflectivity calculations indicate that Cu-doped MoS₂ is sensitive to violet light. In addition, Cu doping elevates the sensitivity of the material to low-energy light. These results show that Cu-doped MoS₂ can be used in optoelectronic applications.

我们通过第一原理计算研究了单层二硫化钼（MoS2）掺杂铜对其结构、电子和光学特性的影响。我们发现，在所有浓度和位点变化中，铜的掺杂都会使费米能级向价带移动，从而使材料从 n 型半导体变成 p 型半导体。吸收系数、光导率和反射率计算表明，掺铜的 MoS2 对紫光很敏感。此外，掺铜还提高了材料对低能量光的敏感性。这些结果表明，掺铜的 MoS2 可用于光电应用。

引用次数: 0

Buckling strain effects on the electron and the phonon spectra, the stability, thermal, and optical characteristics of an MgO nanosheet using PBE/GGA and HSE06 利用 PBE/GGA 和 HSE06 分析屈曲应变对氧化镁纳米片的电子和声子光谱、稳定性、热和光学特性的影响

IF 4.2 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2024-10-07 DOI: 10.1016/j.mssp.2024.108976

The stability, the electronic, the phonon, the thermal, and the optical properties of a buckled MgO monolayer are investigated using DFT with the PBE/GGA and the HSE06 functionals. Model calculations for a buckled MgO monolayer indicate a more interesting behavior than for its flat phase. The band gap decreases from 4.9 to 2.83 eV within the HSE06 approach due to increased electron density of states in the conduction band in the direction of the buckling. Both phonon dispersion and molecular dynamic calculations confirm the dynamic and the thermal stability of the buckled MgO monolayer. The heat capacity of a buckled monolayer is higher than for the flat one in a high temperature range due to a higher phonon density of states caused by the buckling effects. Furthermore, the buckled MgO monolayer has a higher static dielectric function leading to an increased ability to store electrical energy. The buckling creates wrinkles at the surface of the MgO monolayer that can localize collective electron oscillations, resulting in suppression of the plasmon frequency. The main intensity peak in the optical conductivity is red-shifted from the near-ultraviolet to the visible light region in the presence of buckling which may be beneficial for optoelectronic devices.

利用 PBE/GGA 和 HSE06 函数的 DFT 方法研究了倒扣氧化镁单层的稳定性、电子、声子、热和光学特性。对倒扣氧化镁单层的模型计算表明，其行为比其平面相更为有趣。在 HSE06 方法中，带隙从 4.9 eV 减小到 2.83 eV，这是因为在屈曲方向上导带中的电子密度增加了。声子色散和分子动力学计算都证实了降伏氧化镁单层的动态和热稳定性。在高温范围内，屈曲单层的热容量高于平坦单层，这是因为屈曲效应导致声子态密度较高。此外，屈曲氧化镁单层具有更高的静态介电功能，从而提高了存储电能的能力。屈曲会在氧化镁单层表面产生皱褶，使集体电子振荡局部化，从而抑制等离子频率。在发生屈曲的情况下，光导率的主要强度峰从近紫外光区红移到了可见光区，这可能有利于光电设备。

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引用次数: 0