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Intriguing magnetic and electronic behaviors in La and Ru doped Sr2IrO4. La和Ru掺杂Sr2IrO4的磁性和电子行为。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-22 DOI: 10.1088/1361-648X/ada47a
B Dundi Sri Chandana, Jeetendra Kumar Tiwari, K Saranya, Arpita Rana, G Senthil Murugan, Namasivayam Dhenadhayalan, Kwang-Yong Choi, K C Sekhar, P D Babu, Raman Sankar, I Panneer Muthuselvam

We report a detailed experimental study of the structural, magnetic and electrical properties of La and Ru doped (Sr1-xLax)2Ir1-xRuxO4(x= 0.05, 0.15). X-ray diffraction analysis reveals that both samples crystallize in a tetragonal structure with a space groupI41/acdwithout impurities. Substitution with La and Ru leads to an increase in the lattice parameteraand a decrease inc. With increasing doping concentration, the Ir-O-Ir bond angle increases while the Ir-O bond length decreases. X-ray photoelectron spectroscopy (XPS) shows that Ir has Ir3+(5d6) and Ir4+(5d5) charge states, where the Ir4+charge state decreases with an increase in doping concentration. Thedcmagnetic susceptibilityχ(T) ofx= 0.05 reveals a transition from paramagnetic to weak ferromagnetic (wFM) atTC∼ 229 K, arising from the canted antiferromagnetic (AFM) spin arrangement. The magnetic ordering temperatureTCremains unaltered for higher doping, whereas the magnetic moment is significantly reduced. The analysis of real and imaginary components ofacsusceptibility data, based on conventional critical slow model, frequency shift per decade and Vogel-Fulcher law, unanimously evidences the existence of reentrant spin-glass behavior (RSG), i.e. the coexistence of weak ferromagnetism and spin glass phases for the lowest doping ofx= 0.05. On the other hand, for higher doping (x= 0.15) of hole and electron, the RSG phase vanishes, leaving only the wFM phase at the same temperature as observed inx= 0.05. This suggests the higher doping of La and Ru does not affect the magnetic order, but removes the disorder between FM and AFM phases. The electrical resistivity (ρ) measurement analysis reveals that both the samples show semiconducting/insulating behavior across the temperature range. Theρof thex= 0.05 sample is lower than that of pure sample Sr2IrO4(Bhattiet al 2015 J. Phys.:Condens. Matter27016005), whileρofx= 0.15 shows two orders of magnitude larger than thex= 0.05 sample at low temperatures. The conduction mechanism of both samples is described by the 2D Mott's variable-range hopping model. Our results demonstrate that co-doping of two cation sites generates intriguing, competing hopping and magnetic processes.

我们报道了La和Ru掺杂(Sr1-x Lax)2Ir1-xRuxO4 (x= 0.05, 0.15)的结构、磁性和电学性能的详细实验研究。x射线衍射分析表明,两种样品均呈四边形结晶结构,具有空间基I41/ add,不含杂质。La和Ru取代导致晶格参数a增大,c减小。随着掺杂浓度的增加,Ir-O- ir键角增大,Ir-O键长减小。x射线光电子能谱(XPS)表明,Ir具有Ir3+ (5d6)和Ir4+ (5d5)电荷态,其中Ir4+电荷态随着掺杂浓度的增加而降低。x= 0.05的直流磁化率(T)揭示了在TC ~ 229 K下由顺磁性(PM)向弱铁磁性(wFM)转变,这是由倾斜的AFM自旋排列引起的。高掺杂时,磁有序温度TC保持不变,但磁矩明显降低。基于传统的临界慢速模型、十年频移和Vogel-Fulcher定律分析了交流磁化率数据的实虚分量,一致证明了在x= 0.05的最低掺杂下存在可重入自旋玻璃行为(RSG),即弱铁磁性和自旋玻璃相共存。另一方面,对于空穴和电子的高掺杂(x=0.15),在x= 0.05时,在相同的温度下,RSG相消失,只留下wFM相。这表明La和Ru的高掺杂不影响磁性有序,但消除了FM和AFM相之间的无序。电阻率测量分析表明,两种样品在整个温度范围内都表现出半导体/绝缘行为。x= 0.05样品的比纯样品Sr2IrO4[1]低,而x= 0.15的在低温下比x= 0.05样品大两个数量级。用二维Mott变范围跳变(VRH)模型描述了两种样品的传导机理。我们的研究结果表明,两个阳离子位点的共掺杂产生了有趣的、竞争的跳跃和磁性过程。
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引用次数: 0
Potential magnetic structure in Eu3InAs3revealed by magnetization and thermodynamic study. 磁化和热力学研究揭示了eu3inas3的势磁结构。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-21 DOI: 10.1088/1361-648X/ada661
Ming Liu, Shuai Zhang, Ke Jia, Zhaotong Zhuang, Xinyang Liu, Yaqiang Ma, Junsen Xiang, Youguo Shi, Peijie Sun

We systematically investigate the magnetization and thermodynamic responses associated with the antiferromagnetic (AFM) transitions in magnetic semiconductor Eu3InAs3. The linear thermal expansion measurements reveal thataaxis expands whereasbandcaxes contract with the onset of the two AFM transitions atTN1andTN2. Using a simplified mean-field model incorporating AFM exchange interactions, easy-axis anisotropy, and Zeeman coupling, we analyze the potential magnetic structure change associated with the spin-flop and spin-flip transitions in field. The agreement between experimental and calculated magnetization data suggests that the1/3plateau alongbaxis results from a partial spin-flip transition in a multiple-easy-axis magnetic structure, where Eu2-Eu3and Eu1sublattices order antiferromagnetically along thebandaaxes atTN1andTN2, respectively. Consistently, field dependence of magnetic entropy determined using low-Tadiabatic magnetocaloric effect indicates that the number of the ordered Eu2+moments atTN1is nearly twice that atTN2. Our results demonstrate that the magnetic structure in materials with strong spin-lattice coupling can be simply approached by a combined magnetization and thermodynamic study.

我们系统地研究了磁性半导体Eu3InAs3中与反铁磁(AFM)跃迁相关的磁化和热力学响应。线性热膨胀测量表明,随着两个AFM跃迁attn1和tn2的开始,轴扩展,而带宽收缩。利用包含AFM交换相互作用、易轴各向异性和Zeeman耦合的简化平均场模型,我们分析了场中自旋翻转和自旋翻转跃迁相关的潜在磁结构变化。实验和计算的磁化数据一致表明,沿轴的1/3平台是由多易轴磁结构中的部分自旋翻转转变引起的,其中eu2 - eu3和eu1亚晶格分别沿attn1和tn2的带轴呈反铁磁顺序排列。同样,利用低绝热磁热效应测定的磁熵的场依赖性表明,有序Eu2+矩的数量attn1几乎是atTN2的两倍。我们的研究结果表明,具有强自旋-晶格耦合的材料的磁性结构可以通过磁化和热力学的结合研究来简单地接近。
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引用次数: 0
Anomalous and large topological Hall effects inβ-Mn chiral compound Co6.5Ru1.5Zn8Mn4: electron electron interaction facilitated quantum interference effect. β-Mn手性化合物Co6.5Ru1.5Zn8Mn4的反常大拓扑霍尔效应:电子-电子相互作用促进量子干涉效应
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-21 DOI: 10.1088/1361-648X/ada59f
Afsar Ahmed, Arnab Bhattacharya, I Das

β-Mn-type chiral cubic CoxZnyMnz(x+y+z= 20) alloys present a intriguing platform for exploring topological magnetic orderings with promising spintronic potential. This study examines the magnetotransport properties of Co6.5Ru1.5Zn8Mn4, a skyrmion-hostingβ-Mn-type chiral compound. The longitudinal resistivity (ρxx) exhibits field-insensitive low-temperature minima due to quantum interference effects, driven byT1/2-dependent electron-electron interactions. We observe a substantial intrinsic anomalous Hall conductivity, unaffected by quantum interference. Additionally, a pronounced topological Hall effect is observed at the metastable skyrmionic state, persisting up toTCand achieving notable magnitudes for stoichiometric compounds. These results position the CoxZnyMnzfamily favourably to leverage the rich pallete of emergent magnetotransport properties for spintronic applications.

β- mn型手性立方CoxZnyMnz (x + y + z = 20)合金为探索具有自旋电子势的拓扑磁有序提供了一个有趣的平台。本研究考察了含有skyrmion的β- mn型手性化合物Co6.5Ru1.5Zn8Mn4的磁输运性质。纵向电阻率(ρxx)表现出场不敏感的低温最小值,这是由t1 /2依赖的电子-电子相互作用驱动的量子干涉效应所致。我们观察到实质性的本征异常霍尔电导率(AHC),不受量子干涉的影响。此外,在亚稳天离子状态下观察到明显的拓扑霍尔效应,持续到TC,并且对化学计量化合物达到显著的量级。这些结果使CoxZnyMnz家族有利地利用自旋电子应用中丰富的紧急磁输运性质。
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引用次数: 0
Investigation of magnetic and transport properties of GdSbSe. GdSbSe的磁性和输运性质研究。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada50c
Aarti Gautam, Prabuddha Kant Mishra, Souvik Banerjee, A Sundaresan, Ashok Kumar Ganguli

We report the detailed investigation of the magnetic, transport, and magnetocaloric effects (MCEs) of GdSbSe by magnetic susceptibilityχ(T), isothermal magnetizationM(H), resistivityρ(T,H), and heat capacityCp(T)measurements, crystallizing in the ZrSiS-type tetragonal crystal system with space group P4/nmm. Temperature-dependent magnetic susceptibility measurements revealed long-range antiferromagnetic ordering with two additional magnetic anomalies below Néel temperature (TN≈8.6K), corroborated through magnetocaloric and specific heat studies. Isothermal magnetization measurements unveil hidden metamagnetic signatures through a clear deviation from linearity. In addition, the enhanced value of the Sommerfeld coefficient (γ= 152(5) mJ mol-1K2) suggests strong electronic correlations in GdSbSe. The entropy of magnetization derived from magnetic isotherms unfolds the field-induced transition from Inverse MCE to Conventional MCE. The detailed transport properties indicate a semimetallic behavior, strongly coupled with magnetic order. Furthermore, the linear field dependence of MR in the high-field region anticipate the possibility of Dirac-like dispersion. Deviations from Kohler's rule and non-linear Hall resistivity suggest the multiband nature of GdSbSe.

我们通过磁化率χ(T)、等温磁化M (H)、电阻率ρ(T, H)和热容量Cp(T)测量详细研究了GdS- bSe的磁性、输运和磁热效应,并在空间 ;群P 4/nmm的zrsis型四方晶体体系中结晶。与温度相关的磁化率测量显示,在N´eel温度(TN≈ 8.6 K)以下,有两个额外的磁异常,这一点通过磁热学和比热研究得到了证实。等温磁化 ;测量通过明显偏离线性揭示隐藏的超磁特征。此外,Sommerfeld系数的增强值(γ = 152(5) mJ/ mol K2)表明GdSbSe具有很强的电子相关性。由磁等温线导出的磁化熵揭示了磁场诱导从逆磁热效应(IMCE)到常规磁热效应(MCE)的转变。详细的输运性质表明半金属行为,与 ;磁序强耦合。此外,MR在高场区的线性场依赖性预测了狄拉克类色散的可能性。偏离科勒规则和非线性霍尔电阻率表明GdSbSe的多波段性质。
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引用次数: 0
Large scale Raman spectrum calculations in defective 2D materials using deep learning. 基于深度学习的缺陷二维材料大规模拉曼光谱计算。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada106
Olivier Malenfant-Thuot, Dounia Shaaban Kabakibo, Simon Blackburn, Bruno Rousseau, Michel Côté

We introduce a machine learning prediction workflow to study the impact of defects on the Raman response of 2D materials. By combining the use of machine-learned interatomic potentials, the Raman-active Γ-weighted density of states method and splitting configurations in independant patches, we are able to reach simulation sizes in the tens of thousands of atoms, with diagonalization now being the main bottleneck of the simulation. We apply the method to two systems, isotopic graphene and defective hexagonal boron nitride, and compare our predicted Raman response to experimental results, with good agreement. Our method opens up many possibilities for future studies of Raman response in solid-state physics.

我们引入了一个机器学习预测工作流来研究缺陷对二维材料拉曼响应的影响。通过结合使用机器学习的原子间势、拉曼主动γ加权态密度方法和独立斑块中的分裂构型,我们能够达到数万个原子的模拟尺寸,而对角化现在是模拟的主要瓶颈。我们将该方法应用于同位素石墨烯和缺陷六方氮化硼两种体系,并将预测的拉曼响应与实验结果进行了比较,结果吻合良好。我们的方法为固体物理中拉曼响应的未来研究开辟了许多可能性。
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引用次数: 0
Chirality induced spin selectivity in electron transport investigated by scanning probe microscopy. 扫描探针显微镜研究手性诱导的电子输运自旋选择性。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada478
Xueyan Wang, Xin Li, Yang He, Zhen Xu, Haoyang Pan, Jie Li, Yansong Wang, Wenjie Dong, Huamei Chen, Qian Shen, Ziyong Shen, Shimin Hou, Kai Wu, Yajie Zhang, Yongfeng Wang

Chirality induced spin selectivity (CISS) effect implies the relationship between chirality and magnetism, attracting extensive attention in the fields of physics, chemistry and biology. Since it was first discovered with photoemission method in 1999, the CISS effect has been investigated and measured by a variety of methods. Among different means of measurements, scanning probe microscopy (SPM) as a powerful tool to explore the CISS effect, can directly measure and present the spin filtering property of chiral molecules in electron transport. In this paper, we summarize the recent experiments on the CISS effect studied with scanning tunneling microscopy and atomic force microscopy, analyzing the experimental setups and results, and delving into the underlying mechanisms. The present review offers a concise introduction to several chiral molecules which are investigated by SPM for the CISS effect, and a detailed exploration of various experimental techniques tailored to the unique adsorption structures of these molecules. The impact of molecular structure on spin selectivity and the profound implications of CISS are also demonstrated together with a concise overview of CISS theory. A conclusive synopsis and forward-looking perspectives on the investigation of the CISS effect in electron transport utilizing SPM techniques are presented.

手性诱导自旋选择性(CISS)效应揭示了手性与磁性之间的关系,引起了物理、化学和生物学等领域的广泛关注。自1999年首次用光电发射方法发现CISS效应以来,人们已经用各种方法研究和测量了CISS效应。在各种测量手段中,扫描探针显微镜(SPM)作为探索CISS效应的有力工具,可以直接测量和呈现手性分子在电子传递中的自旋过滤特性。本文总结了近年来利用扫描隧道显微镜和原子力显微镜研究CISS效应的实验,分析了实验装置和结果,并探讨了其潜在机制。本文简要介绍了SPM研究的几种手性分子的CISS效应,并详细探讨了针对这些分子独特吸附结构的各种实验技术。本文还阐述了分子结构对自旋选择性的影响,并对自旋选择性理论进行了简要概述。本文对利用SPM技术研究电子输运中的CISS效应作了总结和展望。
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引用次数: 0
Role of spin-orbit coupling for the band splitting in ⍺-Sb and ⍺-Bi on SiC(0001). 自旋-轨道耦合在SiC上的能带分裂中的作用(0001)。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada9b0
Ken Yaegashi, Katsuaki Sugawara, Takashi Takahashi, Takafumi Sato

Monolayer atomic thin films of group-V elements have a high potential for application in spintronics and valleytronics because of their unique crystal structure and strong spin-orbit coupling. We fabricated Sb and Bi monolayers on a SiC(0001) substrate by the molecular-beam-epitaxy method and studied the electronic structure by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. The fabricated Sb film shows the (√3×√3)R30º superstructure associated with the formation of ⍺-Sb, and exhibits a semiconducting nature with a band gap of more than 1.8 eV. Spin-resolved ARPES measurements of isostructural ⍺-Bi revealed the in-plane spin polarization for the topmost valence band, demonstrating its Rashbasplittingof nature due to the space-inversion-symmetry breaking. We discuss the originobserved characteristic band structure and its similarity and difference between Sband Bi. .

v族元素单层原子薄膜由于其独特的晶体结构和较强的自旋轨道耦合,在自旋电子学和谷电子学中具有很大的应用潜力。采用分子束外延法在SiC(0001)衬底上制备了Sb和Bi单层材料,并通过角分辨光发射光谱(ARPES)和第一性原理计算研究了其电子结构。制备的Sb薄膜具有(√3×√3)R30º的上层结构,具有半导体性质,带隙大于1.8 eV。自旋分辨的ARPES测量结果揭示了最上层价带的平面内自旋极化,证明了由于空间逆对称破缺而导致的rashbasplitding性质。讨论了原始观测到的特征带结构及其与Sband Bi. 的异同。
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引用次数: 0
Anomalous pumping in the non-Hermitian Rice-Mele model. 非厄米Rice-Mele模型中的异常抽运。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada9af
Abhishek Kumar, Sarbajit Mazumdar, S D Mahanti, Kush Saha

We study topological charge pumping (TCP) in the Rice-Mele (RM) model with irreciprocal hopping. The non-Hermiticity gives rise to interesting pumping physics, owing to the presence of skin effect and exceptional points. In the static one-dimensional (1D) RM model, we find two independent tuning knobs that can drive the topological transition, namely, non-Hermitian parameter $gamma$ and system size $N$. To elucidate the system-size dependency, we use a finite-size generalized Brillouin zone (GBZ) scheme to show that the edge modes can be distinguished from the non-hermiticity induced skin modes. Moreover, this scheme can capture the state pumping of topological edge modes as a function of $gamma$ in the static 1D RM model and it further provides insight into engineering novel gapless exceptional edge modes with the help of adiabatic drive. Furthermore, we show that the standard topological pumping due to the adiabatic and periodic variation of the model parameters survives even with finite $gamma$. However, we observe that it depends upon the driving protocols and strength of the non-Hermiticity ($gamma$). With increasing $gamma$, the adiabatic pumping for non-trivial protocols is destroyed first and then re-emerges as an anomalous pumping which does not have any Hermitian counterpart. Additionally, we observe that even a trivial adiabatic protocol can give rise to pumping as opposed to the Hermitian system. This is attributed to the inherent point gap physics of non-Hermitian system which we explain by reformulating a non-Bloch topological invariant for the 1+1D RM model. This invariant explains the number of pumped charges (in each period) for all the driving protocols.

研究了具有不互反跳变的Rice-Mele (RM)模型中的拓扑电荷抽运(TCP)问题。由于趋肤效应和特殊点的存在,非厄米性产生了有趣的抽运物理。在静态一维(1D) RM模型中,我们找到了两个独立的调谐旋涡来驱动拓扑转换,即非厄米参数$gamma$和系统大小$N$。为了阐明系统大小的依赖性,我们使用有限大小的广义布里温区(GBZ)格式来证明边缘模式可以与非厄米性诱导的表皮模式区分开来。此外,该方案可以捕获拓扑边缘模式的状态泵送作为静态1D RM模型中$gamma$的函数,并进一步提供了借助绝热驱动的工程新型无间隙异常边缘模式的见解。此外,我们证明了由于模型参数的绝热和周期性变化而导致的标准拓扑泵浦即使在有限的$gamma$下仍然存在。然而,我们观察到它取决于驱动协议和非厄米性($gamma$)的强度。随着$gamma$的增大,非平凡协议的绝热抽运首先被破坏,然后以不存在厄米对偶的异常抽运重新出现。此外,我们观察到,即使是一个微不足道的绝热协议也可以产生与厄米系统相反的抽运。这归因于非厄米系统固有的点间隙物理,我们通过重新表述1+1D RM模型的非bloch拓扑不变量来解释这一点。这个不变量解释了所有驱动协议的抽运电荷(在每个周期)的数量。
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引用次数: 0
Comparative analysis of modified Johnson-Cook model and artificial neural network for flow stress prediction in BN-reinforced AZ80 magnesium composite. 修正Johnson-Cook模型与人工神经网络在bn增强AZ80镁复合材料流变应力预测中的对比分析
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada59e
Ayoub Elajjani, Shaochuan Feng, Chaoyang Sun

Boron nitride (BN), renowned for its exceptional optoelectrical properties, mechanical robustness, and thermal stability, has emerged as a promising two-dimensional material. Reinforcing AZ80 magnesium alloy with BN can significantly enhance its mechanical properties. To investigate and predict this enhancement during hot deformation, we introduce two independent modeling approaches a modified Johnson-Cook constitutive model and an artificial neural network (ANN). These models aim to capture both linear and nonlinear deformation characteristics. Hot compression tests conducted across various temperatures and strain rates provided a comprehensive dataset for model validation. The MJCC model, accounting for strain rate and temperature effects, achieved a correlation coefficientRof 0.96 and an average absolute relative error (AARE) of 6.28%. In contrast, the ANN, trained on experimental data, improved the correlation coefficient toRof 0.99 and reduced the AARE to below 1.5%, significantly enhancing predictive accuracy. These results indicate that while the modified J-C model provides reliable predictions under moderate conditions, the ANN more effectively captures complex behaviors under extreme deformation conditions. By comparing these modeling approaches, our study offers valuable insights for accurately predicting the rheological behavior of BN-reinforced AZ80 magnesium composite, aiding process optimization in industrial applications.

氮化硼(BN)以其卓越的光电性能,机械稳健性和热稳定性而闻名,已成为一种有前途的二维(2D)材料。用BN对AZ80镁合金进行强化,可以显著提高AZ80镁合金的力学性能。为了研究和预测热变形过程中的这种增强,我们引入了两种独立的建模方法:改进的Johnson-Cook (J-C)本构模型和人工神经网络(ANN)。这些模型旨在捕捉线性和非线性变形特征。在不同温度和应变速率下进行的热压缩试验为模型验证提供了全面的数据集。考虑应变率和温度影响的MJCC模型的相关系数R为0.96,平均绝对相对误差(AARE)为6.28%。相比之下,在实验数据上训练的人工神经网络将相关系数提高到R为0.99,将AARE降低到1.5%以下,显著提高了预测精度。这些结果表明,虽然改进的J-C模型在中等条件下提供可靠的预测,但人工神经网络在极端变形条件下更有效地捕获复杂行为。通过比较这些建模方法,我们的研究为准确预测bn增强AZ80镁复合材料的流变行为提供了有价值的见解,有助于工业应用中的工艺优化。
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引用次数: 0
Enhancing Ω Phase Thermal Stability in Al Alloys through Interstitial Ordering. 通过间隙有序增强Al合金Ω相热稳定性。
IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2025-01-13 DOI: 10.1088/1361-648X/ada9ae
Xiaowei Zhou, Liwen Wang, Chunxuan Liu, Jingwen Qiu, Hongrong Liu, Ziran Liu

Scandium (Sc) can orderly occupy interstitial sites within the Ω phase of aluminum alloys, forming a new phase that significantly enhances the thermal stability of the alloy. However, Sc is relatively expensive and rare. In this work, we employ first-principles calculations to delve into the physical essence interstitial ordering of Sc in enhancing thermal stability at the electronic level, thereby revealing the crucial factors responsible for this improvement. By computationally screening all potential metallic elements across the periodic table, we uncover that, in addition to Sc, a diverse range of elements including lithium (Li), calcium (Ca), strontium (Sr), and some of rare earth elements (Sm, Ce, Y), possess the potential to contribute to thermal stability enhancement through interstitial ordering mechanisms in aluminum alloys. This study deepens our understanding of microstructural thermal stability and offers novel strategies for designing improved thermally stable Al alloys.

钪(Sc)能有序占据铝合金Ω相内的间隙位,形成新相,显著提高合金的热稳定性。然而,Sc相对昂贵且稀有。在这项工作中,我们采用第一性原理计算来深入研究Sc在电子水平上增强热稳定性的物理本质间隙排序,从而揭示了这种改进的关键因素。通过计算筛选元素周期表上所有潜在的金属元素,我们发现,除了Sc之外,包括锂(Li)、钙(Ca)、锶(Sr)和一些稀土元素(Sm、Ce、Y)在内的各种元素,都有可能通过铝合金的间隙有序机制促进热稳定性的增强。该研究加深了我们对微观组织热稳定性的理解,为设计改进的热稳定性铝合金提供了新的策略。
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引用次数: 0
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Journal of Physics: Condensed Matter
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