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Anelastic and Magnetic Properties of Polycrystalline La0.6Sr0.4Fe1−xCuxO3−δ 多晶 La0.6Sr0.4Fe1-xCuxO3-δ 的弹性和磁性能
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-22 DOI: 10.1002/pssb.202400218
Boren Xue, Xuenong Ying, Xiaomei Lu
Perovskite La0.6Sr0.4Fe1−xCuxO3−δ (x = 0, 0.05, 0.1, and 0.2) polycrystalline samples have been synthesized in air and investigated by X‐Ray diffraction, scanning electron microscope, magnetization, and mechanical spectroscopy. An antiferromagnetic transition is observed around 300 K, while no corresponding anomaly is observed in the mechanical spectrum, indicating the absence of conventional magnetoelastic coupling. For La0.6Sr0.4FeO3, an internal friction peak (P1) presents around 140 K and shifts to lower temperatures with increasing Cu‐doping content. Meanwhile, a magnetic anomaly is also observed around P1 peak temperature. As explained, the P1 peak is related to the freezing of the ferroelastic domain walls, and the mechanical energy dissipation is induced by the lagging variation of the octahedral tilting under the alternating stress. This work suggests a peculiar magnetic property of the octahedra within ferroelastic domain walls.
我们在空气中合成了透辉石 La0.6Sr0.4Fe1-xCuxO3-δ(x = 0、0.05、0.1 和 0.2)多晶样品,并通过 X 射线衍射、扫描电子显微镜、磁化和机械光谱进行了研究。在 300 K 附近观察到了反铁磁性转变,而在机械光谱中没有观察到相应的异常,这表明不存在传统的磁弹性耦合。对于 La0.6Sr0.4FeO3,一个内摩擦峰(P1)出现在 140 K 左右,并随着铜掺杂含量的增加而向更低的温度移动。同时,在 P1 峰温度附近还观察到磁异常。据解释,P1 峰与铁弹性域壁的冻结有关,而机械能耗散则是由交变应力下八面体倾斜的滞后变化引起的。这项研究表明,铁弹性畴壁内的八面体具有奇特的磁性。
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引用次数: 0
Influence of Polymodal Radiation Processes on Thermoluminescence and Its Quenching in MgO:Mn2+ Crystals 多模式辐射过程对 MgO:Mn2+ 晶体热致发光及其淬灭的影响
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-18 DOI: 10.1002/pssb.202400112
Vakhtang Kvatchadze, Guram Dekanozishvili, Meri Abramishvili, Zaira Akhvlediani, Dimitri Driaev, Valery Tavkhelidze
This comprehensive study relates to the most radiation‐sensitive peaks (450 and 550 K) of high‐temperature (300–775 K) thermally stimulated luminescence (TSL) of MgO:Mn2+ crystals, with impurity content of 77, 155, and 285 ppm, irradiated with fast electrons. For a more complete and clearer picture of the nonmonotonic (polymodal) radiation processes stimulated in doped crystals, the results of a study of a group of nominally pure crystals irradiated under the same experimental conditions are also considered. Based on the correlation of the dose dependences of the studied characteristics, the mechanisms of TSL peaks formation are established. Despite a much lower concentration than divalent manganese ions, ferric ions cause significant changes in thermoluminescence and its quenching in irradiated MgO:Mn2+ crystals.
本综合研究涉及用快速电子照射杂质含量为 77、155 和 285 ppm 的 MgO:Mn2+ 晶体时,其高温(300-775 K)热激发发光(TSL)的最辐射敏感峰(450 和 550 K)。为了更全面、更清晰地了解掺杂晶体中激发的非单调(多模态)辐射过程,还考虑了在相同实验条件下对一组名义上纯净的晶体进行辐照的研究结果。根据所研究特征的剂量相关性,确定了 TSL 峰的形成机制。尽管铁离子的浓度远低于二价锰离子,但在辐照过的氧化镁:Mn2+ 晶体中,铁离子会导致热致发光的显著变化及其淬灭。
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引用次数: 0
On the Auxetic Potential of Synthesizable Calix[4]arene Polymers 可合成钙[4]炔聚合物的助燃潜力
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-18 DOI: 10.1002/pssb.202400213
Maria A. Cardona, Joseph N. Grima, Ken E. Evans, Ruben Gatt
Materials exhibiting auxetic behavior have garnered significant interest due to their potential applications across various fields, with synthetic auxetic materials being one such group. Theoretical studies have demonstrated the potential for various organic polymeric systems to exhibit auxetic behavior. However, to date, only a few synthesized molecular systems have shown some degree of auxetic behavior. Among the theoretical classes of molecular systems that have attracted attention are calix[4]arene systems in the “egg‐rack” conformation. While the theoretical systems proposed in the literature have been deemed difficult to synthesize, calix[4]arene chemistry has advanced tremendously in recent years. In fact, a number of molecular systems with configurations similar to those predicted to exhibit a negative Poisson's ratio have been synthesized, albeit with different chemical moieties. Consequently, it is deemed valuable to study the potential of these synthesized systems to exhibit a negative Poisson's ratio through force‐field‐based simulations. This study is extended to include theoretical calix[4]arene systems linked by acetylene moieties, which are also potentially synthesizable through known methods. It is suggested that these materials can exhibit auxetic behavior when subjected to on‐axis loading in the [001] direction. A detailed mechanistic study of these systems is also conducted.
具有助燃行为的材料因其在各个领域的潜在应用而备受关注,合成助燃材料就是其中之一。理论研究表明,各种有机聚合物体系都有可能表现出助燃行为。然而,迄今为止,只有少数合成分子体系表现出一定程度的助燃行为。其中,"蛋架 "构象的钙[4]炔分子体系的理论类别引起了人们的关注。虽然文献中提出的理论体系被认为难以合成,但近年来钙[4]炔化学却取得了巨大进步。事实上,已经合成了许多与预测的负泊松比构型相似的分子体系,尽管其化学分子不同。因此,通过基于力场的模拟来研究这些合成系统呈现负泊松比的潜力被认为是很有价值的。这项研究扩展到了理论上由乙炔分子连接的钙[4]炔体系,这些体系也有可能通过已知方法合成。研究表明,当这些材料在 [001] 方向上受到同轴负载时,会表现出助燃行为。此外,还对这些系统进行了详细的机理研究。
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引用次数: 0
Impact of Boron Atom Clustering on the Electronic Structure of (B,In)N Alloys 硼原子团聚对 (B,In)N 合金电子结构的影响
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-12 DOI: 10.1002/pssb.202400016
Cara‐Lena Nies, Stefan Schulz
Tailoring the electronic and optical properties of nitride‐based alloys for optoelectronic device applications in the ultraviolet and red spectral range has attracted significant attention in recent years. Adding boron nitride (BN) to indium gallium nitride (In,Ga)N alloys can help to control the lattice mismatch between (In,Ga)N and GaN and may thus allow to reduce strain‐related defect formation. However, understanding of the impact of BN on the electronic properties of III‐N alloys, in particular the influence of experimentally observed boron atom clustering, is sparse. This work presents first‐principles calculations investigating the electronic properties of highly mismatched (B,In)N alloys with boron contents between 2% and 7%. Special attention is paid to the impact of the alloy microstructure. While the results show that the lattice constants of such alloys largely agree with lattice constants determined from a Vegard approximation, the electronic structure strongly depends on the local boron atom configuration. For instance, if boron atoms are dispersed throughout the structure and are not sharing nitrogen atoms, the band gap of (B,In)N alloys is largely unaffected and stays close to the gap of pristine InN. However, in the case of boron atom clustering, i.e., when boron atoms are sharing nitrogen atoms, the band gap can be strongly reduced, often leading to a metallic state in (B,In)N alloys. These strong band gap reductions are mainly driven by carrier localization effects in the valence band. Our calculations thus show that the electronic structure of (B,In)N alloys strongly depends on the alloy microstructure and that boron atom clustering plays an important role in understanding the electronic and optical properties of these emerging materials.
近年来,为紫外和红外光谱范围内的光电器件应用定制氮化物基合金的电子和光学特性引起了人们的极大关注。在氮化铟镓(In,Ga)N)合金中添加氮化硼(BN)有助于控制(In,Ga)N 和氮化镓之间的晶格失配,从而减少与应变相关的缺陷形成。然而,关于硼对 III-N 合金电子特性的影响,特别是实验观察到的硼原子团聚的影响,人们的了解还很有限。本研究通过第一原理计算,研究了硼含量在 2% 到 7% 之间的高度不匹配 (B,In)N 合金的电子特性。研究特别关注合金微观结构的影响。结果表明,此类合金的晶格常数与根据 Vegard 近似值确定的晶格常数基本一致,但电子结构在很大程度上取决于硼原子的局部构型。例如,如果硼原子分散在整个结构中,且不共享氮原子,(B,In)N 合金的带隙基本不受影响,并与原始 InN 的带隙接近。然而,在硼原子聚集的情况下,即硼原子共享氮原子时,带隙会强烈减小,通常会导致 (B,In)N 合金中出现金属态。这些强烈的带隙减小主要是由价带中的载流子局域化效应驱动的。因此,我们的计算表明,(B,In)N 合金的电子结构在很大程度上取决于合金的微观结构,而硼原子团聚在理解这些新兴材料的电子和光学特性方面发挥着重要作用。
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引用次数: 0
Multidimensional Rainbow Trapping of Sound in the Second‐Order Topological Sonic Crystals 二阶拓扑声晶中的多维彩虹陷波
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-12 DOI: 10.1002/pssb.202400200
Jiu‐Jiu Chen, Qiu‐Shuang Yang, Shao‐Yong Huo, Chun‐Ming Fu
Topological rainbow trapping, which can separate and trap different frequencies of topological states into different positions, plays a key role in topological acoustic devices. However, few schemes have been proposed to realize multidimensional topological rainbow trapping effects with the hierarchy of edge and corner, which has partly restricted their practical applications in multifunctional integrated acoustic devices. Herein, a tactic to realize a multidimensional topological rainbow trapping of acoustic wave with the hierarchy of edge and corner in the second‐order topological sonic crystals is proposed. Based on the designing of a self‐ordering structure to both induce the topological phases of the bulk and edge states in the rectangular lattice, the edge states and corner states are obtained. Furthermore, the regularity between the located frequency of topological edge and corner states and the geometric parameters are discussed in detail. Finally, the rainbow trapping effects for topological edge states and corner states are investigated, respectively, in which different frequencies of topological acoustic edge and corner states are well separated and trapped in different positions without overlap. This proposal may provide a novel way for multidimensional wave manipulation and the integration of multifunctional acoustic devices.
拓扑彩虹陷波能将不同频率的拓扑态分离并陷波到不同位置,在拓扑声学器件中发挥着关键作用。然而,目前很少有人提出以边角层次实现多维拓扑彩虹捕集效应的方案,这在一定程度上限制了其在多功能集成声学器件中的实际应用。本文提出了一种在二阶拓扑声波晶体中实现具有边角层次的多维拓扑彩虹声波捕集的策略。基于自排序结构的设计,在矩形晶格中同时诱导了体态和边态的拓扑相,得到了边态和角态。此外,还详细讨论了拓扑边缘态和角态的定位频率与几何参数之间的规律性。最后,分别研究了拓扑边缘态和角态的彩虹捕获效应,其中不同频率的拓扑声学边缘态和角态被很好地分离并捕获在不同的位置上,没有重叠。这一提议为多维波操纵和多功能声学器件的集成提供了一种新方法。
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引用次数: 0
Compound Semiconductors 化合物半导体
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-11 DOI: 10.1002/pssb.202400227
Kwangseuk Kyhm, Jong Su Kim, Heonsu Jeon, Yong‐Hoon Cho
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引用次数: 0
Detecting Strain Effects Due to Nanobubbles in Graphene Mach–Zehnder Interferometers 检测石墨烯马赫-泽恩德干涉仪中纳米气泡产生的应变效应
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-11 DOI: 10.1002/pssb.202470014
Nojoon Myoung, Taegeun Song, Hee Chul Park
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引用次数: 0
Effects of Al2O3 Rear Interface Passivation on the Performance of Bifacial Kesterite‐Based Solar Cells with Fluorine‐Doped Tin Dioxide Back Contact 后界面钝化 Al2O3 对带有掺氟二氧化锡背触点的双面沸石基太阳能电池性能的影响
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-10 DOI: 10.1002/pssb.202400080
Hezekiah B. Sawa, Melike Babucci, Jan Keller, Charlotte Platzer Björkman, Nuru R. Mlyuka, Margaret E. Samiji
Herein, ultrathin Al2O3 is investigated as a rear interface passivation layer for kesterite solar cells with F:SnO2 (FTO) back contact for potential performance improvement. On the passivation layer, a thin Mo layer is deposited to improve the FTO's ohmicity. Further, NaF is evaporated on the copper zinc tin sulfide (CZTS) precursors to create openings at the passivation layer and achieve Na‐induced benefits in the absorber. The CZTS absorbers deposited directly on the Al2O3‐coated FTO peel off, while those with Mo interlayer do not. For pure sulfide kesterite devices, the Al2O3 layer reduces the short‐circuit current density (JSC), resulting in poor device efficiency. On the other hand, significantly higher JSC is realized for mixed sulfide and selenide kesterite devices with Al2O3 passivation layer, with the current density–voltage curve suggesting a reduced barrier height at the rear interface. As a result, the efficiency is improved from 1.5% for devices without Al2O3 to 4.6% for those with Al2O3. Likewise, improved external quantum efficiency response is observed in the devices with passivation layer for backside and frontside illumination. Therefore, contribution of Al2O3 passivation layer to the performance of kesterite‐based solar cells is evident from the results of this study.
本文研究了超薄 Al2O3 作为 F:SnO2 (FTO) 背接触的克斯特石太阳能电池的后界面钝化层,以提高其潜在性能。在钝化层上,沉积了一层薄薄的钼,以改善 FTO 的电阻率。此外,还在铜锌锡硫化物(CZTS)前驱体上蒸发 NaF,以便在钝化层上形成开口,从而在吸收器中实现由 Na 引发的优势。直接沉积在涂有 Al2O3 的 FTO 上的 CZTS 吸收体会剥落,而夹层有 Mo 的吸收体则不会剥落。对于纯硫化物钾长石器件,Al2O3 层会降低短路电流密度(JSC),从而导致器件效率低下。另一方面,带有 Al2O3 钝化层的硫化物和硒化物混合钾长石器件的短路电流密度明显提高,电流密度-电压曲线表明后界面的势垒高度降低。因此,效率从不带 Al2O3 的器件的 1.5% 提高到带 Al2O3 的器件的 4.6%。同样,在有钝化层的器件中,背面和正面照明的外部量子效率响应也有所改善。因此,从本研究的结果来看,Al2O3 钝化层对基于钾长石的太阳能电池性能的贡献是显而易见的。
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引用次数: 0
Competition between Cubic and Tetragonal Phase Induced Unusual Vertical Magnetization Shift and Exchange Bias in CoxMn3−xO4 (1 ≤ x ≤ 2) Spinel Nanoparticles 立方相和四方相之间的竞争诱导了 CoxMn3-xO4 (1 ≤ x ≤ 2) 尖晶石纳米粒子中不寻常的垂直磁化偏移和交换偏差
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-10 DOI: 10.1002/pssb.202400090
Sanjna Rajput, Chandana Rath
CoxMn3−xO4 (1 ≤ x ≤ 2) spinel nanoparticles synthesized through conventional coprecipitation technique exhibit the coexistence of tetragonal and cubic phases in the range of 1 ≤ x ≤ 1.5, while a pure cubic phase is observed for 1.75 ≤ x ≤ 2 at room temperature. Reduction in tetragonal phase fraction from 92 % for x = 1 to 47% for x = 1.5 is attributed to diminution of Jahn–Teller (J–T) active Mn3+ ions occupying the octahedral site of spinel lattice. X‐ray photoelectron spectroscopy confirms both +2 and +3 oxidation states for Co and Mn. Surprisingly, cubic and tetragonal phases exhibit magnetic transition, Tc1 and Tc2, corresponding to a paramagnetic to a high and low temperature ferrimagnetic state, respectively. Tetragonal phase induces high spontaneous (HSEB) and conventional (HCEB) exchange bias with unusually high vertical magnetization shift (VMS) than that of the pure cubic phase, shows maximum HCEB of 4.062 kOe for x = 1.5 and a VMS of 2.5 emu g−1 for x = 1. Such dependence of VMS and exchange bias on tetragonal to cubic phase ratio in CoxMn3−xO4 is demonstrated for the first time and interpreted based on the interaction between different arrangement of spins in tetrahedral and octahedral sublattice.
在室温下,通过传统共沉淀技术合成的 CoxMn3-xO4 (1 ≤ x ≤ 2) 尖晶石纳米粒子在 1 ≤ x ≤ 1.5 的范围内表现出四方相和立方相共存,而在 1.75 ≤ x ≤ 2 的范围内则表现出纯立方相。四方相的比例从 x = 1 时的 92% 降至 x = 1.5 时的 47%,这是因为占据尖晶石晶格八面体位点的 Jahn-Teller (J-T) 活性 Mn3+ 离子减少了。X 射线光电子能谱证实了 Co 和 Mn 的 +2 和 +3 氧化态。令人惊讶的是,立方相和四方相表现出磁性转变(Tc1 和 Tc2),分别对应于顺磁态到高温和低温铁磁态。与纯立方相相比,四方相诱导高自发(HSEB)和常规(HCEB)交换偏置,具有异常高的垂直磁化偏移(VMS),在 x = 1.5 时显示最大 HCEB 为 4.062 kOe,在 x = 1 时显示 VMS 为 2.5 emu g-1。VMS 和交换偏置对 CoxMn3-xO4 中四方相与立方相比例的这种依赖关系是首次得到证实,并基于四面体和八面体亚晶格中不同排列的自旋之间的相互作用进行了解释。
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引用次数: 0
Nonlinear Optical Effects in Europium Melilite Eu2MgSi2O7 铕美拉尔 Eu2MgSi2O7 中的非线性光学效应
IF 1.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Pub Date : 2024-07-08 DOI: 10.1002/pssb.202400172
Kseniya Mikhailovna Tsysar, Dmitry Igorevich Bazhanov, Karine Karlenovna Abgaryan, Nadezhda Nikolaevna Kiselyova
Crystals of the family of tetragonal, non‐centrosymmetric melilites have attracted interest as nonlinear optical, piezoelectric, and ferroelectric materials. This work presents an ab initio study of the optical properties of europium melilite, Eu2MgSi2O7. The study includes the calculation of refractive and absorption spectra, with respect to the density of states of the system. The obtained results demonstrate the correlation between the electronic structure of europium melilite and its optical characteristics.
作为非线性光学、压电和铁电材料,四方非中心对称美利来石家族的晶体引起了人们的兴趣。本研究对 Eu2MgSi2O7(铕麦饭石)的光学特性进行了无损研究。研究包括计算折射和吸收光谱,以及系统的状态密度。研究结果表明了掺铕莫来石的电子结构与其光学特性之间的相关性。
{"title":"Nonlinear Optical Effects in Europium Melilite Eu2MgSi2O7","authors":"Kseniya Mikhailovna Tsysar, Dmitry Igorevich Bazhanov, Karine Karlenovna Abgaryan, Nadezhda Nikolaevna Kiselyova","doi":"10.1002/pssb.202400172","DOIUrl":"https://doi.org/10.1002/pssb.202400172","url":null,"abstract":"Crystals of the family of tetragonal, non‐centrosymmetric melilites have attracted interest as nonlinear optical, piezoelectric, and ferroelectric materials. This work presents an ab initio study of the optical properties of europium melilite, Eu<jats:sub>2</jats:sub>MgSi<jats:sub>2</jats:sub>O<jats:sub>7</jats:sub>. The study includes the calculation of refractive and absorption spectra, with respect to the density of states of the system. The obtained results demonstrate the correlation between the electronic structure of europium melilite and its optical characteristics.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":"16 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141570462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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Physica Status Solidi B-basic Solid State Physics
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