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Effect of helium-ion implantation on 3C-SiC nanomechanical string resonators 氦离子植入对 3C-SiC 纳米机械弦谐振器的影响
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-13 DOI: 10.1103/physrevapplied.22.034036
Philipp Bredol, Felix David, Nagesh S. Jagtap, Yannick S. Klaß, Georgy V. Astakhov, Artur Erbe, Eva M. Weig
Hybrid quantum devices enable novel functionalities by combining the benefits of different subsystems. Particularly, point defects in nanomechanical resonators made of diamond or silicon carbide (SiC) have been proposed for precise magnetic field sensing and as versatile quantum transducers. However, the realization of a hybrid system may involve trade-offs in the performance of the constituent subsystems. In a spin-mechanical system, the mechanical properties of the resonator may suffer from the presence of engineered defects in the crystal lattice. This may severely restrict the performance of the resulting device and needs to be carefully explored. Here we focus on the impact of defects on high-Q nanomechanical string resonators made of prestressed 3C-SiC grown on Si(111). We use helium-ion implantation to create point defects and study their accumulated effect on the mechanical performance. Using Euler-Bernoulli beam theory, we present a method to determine Young’s modulus and the prestress of the strings. We find that Young’s modulus is not modified by implantation. Under implantation doses relevant for single-defect or defect-ensemble generation, both tensile stress and damping rate also remain unaltered. For a higher implantation dose, both exhibit a characteristic change.
通过结合不同子系统的优势,混合量子器件可以实现新的功能。特别是,由金刚石或碳化硅(SiC)制成的纳米机械谐振器中的点缺陷已被提出用于精确磁场感应和多功能量子传感器。然而,要实现混合系统,可能需要对组成子系统的性能进行权衡。在自旋机械系统中,共振器的机械性能可能会因晶格中存在工程缺陷而受到影响。这可能会严重限制所产生设备的性能,因此需要仔细研究。在此,我们将重点研究缺陷对在 Si(111) 上生长的预应力 3C-SiC 制成的高 Q 值纳米机械弦谐振器的影响。我们使用氦离子注入法制造点缺陷,并研究它们对机械性能的累积影响。利用欧拉-伯努利梁理论,我们提出了一种确定弦的杨氏模量和预应力的方法。我们发现杨氏模量不会因植入而改变。在与单缺陷或缺陷组合生成相关的植入剂量下,拉伸应力和阻尼率也保持不变。当植入剂量较高时,两者都会出现特征性变化。
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引用次数: 0
Directional emission of a readout resonator for qubit measurement 用于测量量子比特的读出谐振器的定向发射
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-13 DOI: 10.1103/physrevapplied.22.034035
Alec Yen, Yufeng Ye, Kaidong Peng, Jennifer Wang, Gregory Cunningham, Michael Gingras, Bethany M. Niedzielski, Hannah Stickler, Kyle Serniak, Mollie E. Schwartz, Kevin P. O’Brien
We propose and demonstrate transmission-based dispersive readout of a superconducting qubit using an all-pass resonator, which preferentially emits readout photons toward the output. This is in contrast to typical readout schemes, which intentionally mismatch the feedline at one end so that the readout signal preferentially decays toward the output. We show that this intentional mismatch creates scaling challenges, including larger spread of effective resonator linewidths due to nonideal impedance environments and added infrastructure for impedance matching. A future architecture using multiplexed all-pass readout resonators would avoid the need for intentional mismatch and potentially improve the scaling prospects of quantum computers. As a proof-of-concept demonstration of “all-pass readout,” we design and fabricate an all-pass readout resonator that demonstrates insertion loss below 1.17 dB at the readout frequency and a maximum insertion loss of 1.53 dB across its full bandwidth for the lowest three states of a transmon qubit. We demonstrate qubit readout with an average single-shot fidelity of 98.1% in 600 ns; to assess the effect of larger dispersive shift, we implement a shelving protocol and achieve a fidelity of 99.0% in 300 ns.
我们提出并演示了使用全通谐振器对超导量子比特进行基于传输的色散读出,该谐振器优先向输出端发射读出光子。这与典型的读出方案形成鲜明对比,后者故意使馈线的一端失配,从而使读出信号优先向输出端衰减。我们的研究表明,这种有意的不匹配会带来扩展方面的挑战,包括由于非理想阻抗环境和阻抗匹配所需的额外基础设施而导致谐振器有效线宽的更大范围。未来使用多路复用全通读出谐振器的架构将避免有意失配的需要,并有可能改善量子计算机的扩展前景。作为 "全通读出 "的概念验证演示,我们设计并制造了一种全通读出谐振器,它在读出频率上的插入损耗低于 1.17 dB,在全带宽范围内,对于跨子量子比特的最低三个状态,最大插入损耗为 1.53 dB。我们展示了 600 ns 内平均单次保真度为 98.1% 的量子比特读出;为了评估更大色散位移的影响,我们实施了搁置协议,并在 300 ns 内实现了 99.0% 的保真度。
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引用次数: 0
Enhanced signal-to-noise ratio in magnonic logic gates via dipole coupling 通过偶极耦合提高磁子逻辑门的信噪比
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-13 DOI: 10.1103/physrevapplied.22.034037
Ryunosuke Hayashi, Shoki Nezu, Koji Sekiguchi
This work presents a significant advancement in spin-wave computing devices utilizing magnetostatic surface spin waves. We demonstrate a micro-Y-shaped waveguide fabricated from yttrium iron garnet with a nanometer thickness. This intricately engineered design enables a novel logic device with two inputs and one output, enabling future cascading of such elements. Electrical measurements on the Y-shaped structure reveal that strategically introduced gaps effectively manipulate spin-wave propagation, as corroborated by detailed micromagnetic simulations. Notably, we achieve robust diagonal spin-wave transmission across 1.2 µm gaps, covering a distance of 120 µm. Furthermore, the gapped device exhibits clear phase-dependent spin-wave interference, surpassing the performance of a conventional Y-shaped design. This phenomenon, confirmed by mapping simulated magnetization components, signifies the potential of dipole-coupled devices for realizing efficient 2-input-1-output magnonic logic elements, laying the groundwork for future development in this field.
这项工作展示了利用磁静力表面自旋波的自旋波计算设备的重大进展。我们展示了用纳米厚度的钇铁石榴石制造的微型 Y 形波导。这种复杂的工程设计实现了一种具有两个输入和一个输出的新型逻辑器件,使未来此类元件的级联成为可能。对 Y 型结构进行的电学测量显示,策略性引入的间隙能有效操纵自旋波的传播,详细的微磁模拟也证实了这一点。值得注意的是,我们实现了跨越 1.2 微米间隙、覆盖 120 微米距离的强劲对角线自旋波传输。此外,间隙器件还表现出明显的相位自旋波干涉,性能超过了传统的 Y 型设计。这一现象通过绘制模拟磁化分量图得到证实,表明偶极耦合器件具有实现高效 2 输入 1 输出磁性逻辑元件的潜力,为这一领域的未来发展奠定了基础。
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引用次数: 0
Exploring the topological sector optimization on quantum computers 探索量子计算机上的拓扑扇区优化
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034031
Yi-Ming Ding, Yan-Cheng Wang, Shi-Xin Zhang, Zheng Yan
Optimization problems are the core challenge in many fields of science and engineering, yet general and effective methods for finding optimal solutions remain scarce. Quantum computing has been envisioned to help solve such problems, with methods like quantum annealing (QA), grounded in adiabatic evolution, being extensively explored and successfully implemented on quantum simulators such as D-Wave’s annealers and some Rydberg arrays. In this work, we investigate the topological sector optimization (TSO) problem, which has attracted particular interest in the quantum simulation and many-body physics community. We reveal that the topology induced by frustration in the optimization model is an intrinsic obstruction for QA and other traditional methods to approach the ground state. We demonstrate that the difficulties of the TSO problem are not restricted to the gaplessness, but are also due to the topological nature, which was often ignored for the analysis of optimization problems before. To solve TSO problems, we utilize quantum imaginary-time evolution (QITE) with a possible realization on quantum computers, which leverages the property of quantum superposition to explore the full Hilbert space and can thus address optimization problems of topological nature. We report the performance of different quantum optimization algorithms on TSO problems and demonstrate that their capabilities to address optimization problems are distinct even when considering the quantum computational resources required for practical QITE implementations.
优化问题是许多科学和工程领域面临的核心挑战,但寻找最佳解决方案的通用有效方法仍然匮乏。量子计算被认为有助于解决此类问题,以绝热演化为基础的量子退火(QA)等方法已被广泛探索,并在量子模拟器(如 D-Wave 的退火器和一些 Rydberg 阵列)上成功实施。在这项工作中,我们研究了拓扑扇区优化(TSO)问题,该问题引起了量子模拟和多体物理学界的特别关注。我们揭示了优化模型中挫折诱导的拓扑结构是 QA 和其他传统方法接近基态的内在障碍。我们证明了 TSO 问题的难点不仅限于无间隙性,还在于拓扑性质,而这在以前的优化问题分析中常常被忽视。为了解决 TSO 问题,我们利用了量子虚时演化(QITE),它有可能在量子计算机上实现,利用量子叠加特性探索整个希尔伯特空间,从而解决拓扑性质的优化问题。我们报告了不同量子优化算法在 TSO 问题上的表现,并证明即使考虑到实际 QITE 实现所需的量子计算资源,它们解决优化问题的能力也是截然不同的。
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引用次数: 0
Microscale fiber-integrated vector magnetometer with on-tip field biasing using N-V ensembles in diamond microcrystals 利用金刚石微晶中的 N-V 组合实现尖端场偏压的微尺度光纤集成矢量磁力计
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034029
Jonas Homrighausen, Frederik Hoffmann, Jens Pogorzelski, Peter Glösekötter, Markus Gregor
In quantum sensing of magnetic fields, ensembles of nitrogen-vacancy centers in diamond offer high sensitivity, high bandwidth and outstanding spatial resolution while operating in harsh environments. Moreover, the orientation of defect centers along four crystal axes forms an intrinsic coordinate system, enabling vector magnetometry within a single diamond crystal. While most vector magnetometers rely on a known bias magnetic field for full recovery of three-dimensional (3D) field information, employing external 3D Helmholtz coils or permanent magnets results in bulky, laboratory-bound setups, impeding miniaturization of the device. Here, a novel approach is presented that utilizes a fiber-integrated microscale coil at the fiber tip to generate a localized uniaxial magnetic field. The same fiber-tip coil is used in parallel for spin control by combining dc and microwave signals in a bias tee. To implement vector magnetometry using a uniaxial bias field, the orientation of the diamond crystal is preselected and then fully characterized by rotating a static magnetic field in three planes of rotation. The measurement of vector magnetic fields in the full solid angle is demonstrated with a shot-noise-limited sensitivity of 19.4nT/Hz1/2 and microscale spatial resolution while achieving a fiber sensor head cross section of less than 1mm2.
在磁场量子传感方面,金刚石中的氮空位中心集合体具有高灵敏度、高带宽和出色的空间分辨率,同时还能在恶劣环境中工作。此外,缺陷中心沿四条晶体轴的取向形成了一个内在坐标系,从而在单个金刚石晶体内实现了矢量磁力测量。虽然大多数矢量磁强计都依赖于已知偏置磁场来全面恢复三维(3D)场信息,但采用外部三维亥姆霍兹线圈或永久磁铁会导致笨重的实验室设置,阻碍设备的微型化。本文介绍了一种新方法,它利用光纤尖端的光纤集成微型线圈来产生局部单轴磁场。通过在偏置三通中结合直流和微波信号,并行使用同一光纤端线圈进行自旋控制。为了利用单轴偏置磁场实现矢量磁力测量,需要预先选择金刚石晶体的方向,然后通过在三个旋转平面内旋转静态磁场来充分表征。全固角矢量磁场测量的灵敏度为 19.4nT/Hz1/2,空间分辨率为微米级,光纤传感器头的横截面小于 1mm2。
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引用次数: 0
Transport properties of interface-type analog memristors 界面型模拟忆阻器的传输特性
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034028
Sahitya V. Vegesna, Venkata Rao Rayapati, Heidemarie Schmidt
Interface-type, analog memristors have quite a reputation for real-time applications in edge sensorics, edge computing, and neuromorphic computing. The n-type conducting BiFeO3 (BFO) is such an interface-type, analog memristor, which is also nonlinear and can therefore not only store, but also process data in the same memristor cell without data transfer between the data-storage unit and the data-processing unit. Here we present a physical memristor model, which describes the hysteretic current-voltage curves of the BFO memristor in the small and large current-voltage range. Extracted internal state variables are reconfigured by the ion drift in the two write branches and are determining the electron transport in the two read branches. Simulation of electronic circuits with the BFO interface-type, analog memristors was not possible so far because previous physical memristor models have not captured the full range of internal state variables. We show quantitative agreement between modeled and experimental current-voltage curves exemplarily of three different BFO memristors in the small and large current-voltage ranges. Extracted dynamic and static internal state variables in the two full write branches and in the two full read branches, respectively, can be used for simulating electronic circuits with BFO memristors, e.g., in edge sensorics, edge computing, and neuromorphic computing.
接口型模拟忆阻器在边缘传感、边缘计算和神经形态计算的实时应用中享有盛誉。n 型导电 BiFeO3(BFO)就是这样一种界面型模拟忆阻器,它也是非线性的,因此不仅可以存储数据,还可以在同一忆阻器单元中处理数据,而无需在数据存储单元和数据处理单元之间进行数据传输。在这里,我们提出了一个物理忆阻器模型,该模型描述了 BFO 忆阻器在小电流和大电流-电压范围内的滞后电流-电压曲线。提取的内部状态变量在两个写入分支中由离子漂移重新配置,并在两个读取分支中决定电子传输。由于以往的物理忆阻器模型无法捕捉全部内部状态变量,因此迄今为止还无法利用 BFO 接口型模拟忆阻器模拟电子电路。我们以三种不同的 BFO 回忆晶体管为例,展示了在小电流和大电流-电压范围内,模型与实验电流-电压曲线之间的定量一致性。在两个全写分支和两个全读分支中分别提取的动态和静态内部状态变量可用于模拟带有 BFO Memristors 的电子电路,例如边缘传感、边缘计算和神经形态计算。
{"title":"Transport properties of interface-type analog memristors","authors":"Sahitya V. Vegesna, Venkata Rao Rayapati, Heidemarie Schmidt","doi":"10.1103/physrevapplied.22.034028","DOIUrl":"https://doi.org/10.1103/physrevapplied.22.034028","url":null,"abstract":"Interface-type, analog memristors have quite a reputation for real-time applications in edge sensorics, edge computing, and neuromorphic computing. The <i>n</i>-type conducting <math display=\"inline\" overflow=\"scroll\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mrow><mi>Bi</mi><mi>Fe</mi><mi mathvariant=\"normal\">O</mi></mrow><mn>3</mn></msub></math> (BFO) is such an interface-type, analog memristor, which is also nonlinear and can therefore not only store, but also process data in the same memristor cell without data transfer between the data-storage unit and the data-processing unit. Here we present a physical memristor model, which describes the hysteretic current-voltage curves of the BFO memristor in the small and large current-voltage range. Extracted internal state variables are reconfigured by the ion drift in the two write branches and are determining the electron transport in the two read branches. Simulation of electronic circuits with the BFO interface-type, analog memristors was not possible so far because previous physical memristor models have not captured the full range of internal state variables. We show quantitative agreement between modeled and experimental current-voltage curves exemplarily of three different BFO memristors in the small and large current-voltage ranges. Extracted dynamic and static internal state variables in the two full write branches and in the two full read branches, respectively, can be used for simulating electronic circuits with BFO memristors, e.g., in edge sensorics, edge computing, and neuromorphic computing.","PeriodicalId":20109,"journal":{"name":"Physical Review Applied","volume":"1 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetic induction sensor based on a dual-frequency atomic magnetometer 基于双频原子磁力计的磁感应传感器
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034030
Hengyan Wang, Michael Zugenmaier, Kasper Jensen, Wenqiang Zheng, Eugene S. Polzik
We propose and demonstrate a combined static- and oscillating-field alkali atom magnetometer and use it as a magnetic induction tomography sensor. The magnetometer realizes simultaneous measurements of the static and oscillating magnetic fields using two different Zeeman transitions of a single sensor. This approach dramatically enhances the long-term stability and sensitivity of detection of low-conductivity objects. Using our dual-frequency magnetometer, we detect small containers with salt water with conductivity as low as 0.55 S/m. We achieved a conductivity measurement uncertainty of 0.18 S/m with a 10-s integration time. This performance is sufficient to distinguish between healthy and malignant tissue in the human body. The dual-frequency magnetometer can also be used as a self-stabilized radio-frequency magnetometer.
我们提出并演示了一种结合静磁场和振荡磁场的碱原子磁力计,并将其用作磁感应层析成像传感器。该磁力计利用单个传感器的两种不同的泽曼变换实现了静态磁场和振荡磁场的同时测量。这种方法大大提高了探测低导电率物体的长期稳定性和灵敏度。利用我们的双频磁强计,我们探测到了装有盐水的小型容器,其电导率低至 0.55 S/m。在 10 秒积分时间内,我们实现了 0.18 S/m 的电导率测量不确定性。这一性能足以区分人体中的健康组织和恶性组织。双频磁强计还可用作自稳定射频磁强计。
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引用次数: 0
Laser-frequency stabilization using light shift in compact atomic clocks 利用紧凑型原子钟的光偏移实现激光稳频
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034033
Claudio E. Calosso, Michele Gozzelino, Filippo Levi, Salvatore Micalizio
This paper describes the light-shift laser-lock (LSLL) technique, an alternative method intended for laser-based compact atomic clocks. The technique greatly simplifies the laser setup by stabilizing the pumping-laser frequency to the same atoms involved in the clock operation, without the need of an external reference. By alternating two clock sequences, the method estimates and cancels out a controlled amount of induced light shift, acting on the laser frequency. The LSLL technique is compatible with state-of-the-art three-level clocks and was demonstrated with field-programmable-gate-array-based electronics on a pulsed-optically-pumped vapor-cell clock developed at INRIM. The results have shown that the LSLL technique operates robustly, having a capture range of gigahertz without significantly compromising clock stability. In our tests, the clock exhibited a white frequency noise of 3.2×1013τ1/2 for averaging times τ up to 4000 s, reaching a floor below 1×1014 up to 100 000 s. This level of performance meets the requirements of future global navigation satellite systems on-board clocks, adding the benefits of a reduced clock footprint, as well as increased reliability and robustness.
本文介绍了光变激光锁定(LSLL)技术,这是一种用于基于激光的紧凑型原子钟的替代方法。该技术通过将抽运激光频率稳定在时钟运行所涉及的相同原子上,无需外部参考,从而大大简化了激光设置。通过交替使用两个时钟序列,该方法可以估算并消除作用于激光频率的受控诱导光偏移量。LSLL 技术与最先进的三电平时钟兼容,并通过 INRIM 开发的基于场可编程栅极阵列的电子器件,在脉冲光泵蒸汽电池时钟上进行了演示。结果表明,LSLL 技术运行稳定,捕获范围达千兆赫兹,且不会明显影响时钟稳定性。在我们的测试中,时钟在平均时间 τ 高达 4000 秒时的白频噪声为 3.2×10-13τ-1/2,在 100 000 秒时的最低噪声低于 1×10-14。这一性能水平符合未来全球导航卫星系统机载时钟的要求,同时还具有减少时钟占用空间、提高可靠性和坚固性的优点。
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引用次数: 0
Trojan-horse attack on a real-world quantum key distribution system: Theoretical and experimental security analysis 对真实世界量子密钥分发系统的木马攻击:理论与实验安全分析
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034032
Ivan S. Sushchev, Daniil S. Bulavkin, Kirill E. Bugai, Anna S. Sidelnikova, Dmitriy A. Dvoretskiy
This paper presents a theoretical and experimental demonstration of a security analysis of a Trojan-horse attack (THA) on a real-world quantum key distribution (QKD) system. We show that the upper bound on the information leakage depends solely on the fidelity between the states of the adversary. We find the lower bound for fidelity between THA states in both the polarization- and phase-coding BB84 protocols, considering both pure and mixed states. Our bounds depend only on the mean photon number per pulse available to an adversary. We also present an experimental analysis of a QKD system, including optical time-domain reflectometry measurements with centimeter resolution and spectral transmittance measurements for optical defense elements ranging from 1100 to 1800 nm with a noise floor lower than 100 dB. Finally, by considering the optimal attack, we obtain the value of the mean photon number per pulse available to an adversary and calculate the key leakage that needs to be eliminated during the privacy amplification procedure.
本文从理论和实验两方面论证了对真实世界量子密钥分发(QKD)系统的木马攻击(THA)的安全性分析。我们证明,信息泄漏的上限完全取决于对手状态之间的保真度。考虑到纯态和混合态,我们找到了极化和相位编码 BB84 协议中 THA 状态间保真度的下限。我们的界限只取决于对手每个脉冲可用的平均光子数。我们还介绍了 QKD 系统的实验分析,包括厘米级分辨率的光学时域反射测量,以及 1100 到 1800 nm 范围内光学防御元件的光谱透射测量,其噪声本底低于 -100 dB。最后,通过考虑最优攻击,我们获得了对手可利用的每个脉冲平均光子数的值,并计算出在隐私放大过程中需要消除的密钥泄漏。
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引用次数: 0
Double half-Heusler alloys X2Ni2InSb (X = Zr, Hf) with promising thermoelectric performance: The role of varying structural phases 具有良好热电性能的双半赫斯勒合金 X2Ni2InSb(X = Zr、Hf):不同结构相的作用
IF 4.6 2区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-09-12 DOI: 10.1103/physrevapplied.22.034034
Bhawna Sahni, Aftab Alam
Double half-Heusler (HH) alloys are a new class of compounds that can be seen as transmuted versions of two single half-Heusler alloys with higher flexibility of tunability of their properties. Here, we report a detailed study of the thermoelectric (TE) properties of two double HH alloys X2Ni2InSb (X = Hf, Zr), using first-principles calculation. These alloys exhibit a rich phase diagram with the possibility of tetragonal, cubic, and solid-solution phases. As such, a comparative study of the TE properties of all these phases is highly desired. The simulated band gap, obtained using a hybrid functional, of the ordered phase of Hf2Ni2InSb and Zr2Ni2InSb lies in the range 0.24–0.4 and 0.17–0.59 eV, respectively, while, for the disordered phase, it lies in between 0.05 and 0.06 eV. A simulated TE figure of merit (ZT) as high as 2.02 and 2.45 is obtained for Hf2Ni2InSb and Zr2Ni2InSb, respectively. In both compounds, electronic transport plays the dominant role in achieving the promising ZT values. We believe this study will attract the attention not only of experimentalists but also of theoreticians from the thermoelectric community to further investigate similar double HH alloys.
双半休斯勒(HH)合金是一类新型化合物,可以看作是两个单半休斯勒合金的变形版本,具有更灵活的可调性。在此,我们报告了利用第一原理计算对两种双 HH 合金 X2Ni2InSb(X = Hf、Zr)的热电(TE)特性进行的详细研究。这些合金显示出丰富的相图,可能存在四方相、立方相和固溶相。因此,对所有这些相的 TE 特性进行比较研究是非常必要的。使用混合函数得到的 Hf2Ni2InSb 和 Zr2Ni2InSb 有序相的模拟带隙分别为 0.24-0.4 和 0.17-0.59 eV,而无序相的模拟带隙在 0.05 和 0.06 eV 之间。Hf2Ni2InSb 和 Zr2Ni2InSb 的模拟 TE 优度(ZT)分别高达 2.02 和 2.45。在这两种化合物中,电子传输在实现良好的 ZT 值方面发挥了主导作用。我们相信,这项研究不仅会引起实验人员的注意,也会引起热电界理论人员的注意,以进一步研究类似的双 HH 合金。
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引用次数: 0
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