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Topological Hall effect and magnetic states in the Nowotny chimney ladder compound Cr11Ge19 诺沃特尼烟囱阶梯化合物Cr11Ge19的拓扑霍尔效应和磁态
Pub Date : 2020-10-12 DOI: 10.1103/PHYSREVB.103.024445
Yu Li, X. Gui, Mojammel A. Khan, W. Xie, D. Young, J. Ditusa
We have investigated the magnetic and charge transport properties of single crystals of Nowotney Chimney Ladder compound Cr$_{11}$Ge$_{19}$ and mapped out a comprehensive phase diagram reflecting the complicated interplay between the Dzyaloshinskii-Moriya (DM) interaction, the dipolar interaction, and the magnetic anisotropy. We have identified a set of interesting magnetic phases and attributed a finite topological Hall effect to the recently discovered bi-skyrmion phase. These data also suggest the existence of an anti-skyrmion state at finite fields for temperatures just below the magnetic ordering temperature, $T_c$, as indicated by a distinct change in sign of the topological Hall effect. Above $T_c$, we discovered a region of enhanced magnetic response corresponding to a disordered phase likely existing near the ferromagnetic critical point under small magnetic fields. Strong spin chirality fluctuations are demonstrated by the large value of the topological Hall resistivity persisting up to 1 T which is most likely due to the existence of the DM interaction. We argue that changes to the topological Hall effect correspond to different topological spin textures that are controlled by magnetic dipolar and DM interactions that vary in importance with temperature.
研究了nootney烟囱梯化合物Cr$_{11}$Ge$_{19}$单晶的磁性和电荷输运性质,绘制了反映Dzyaloshinskii-Moriya (DM)相互作用、偶极相互作用和磁各向异性之间复杂相互作用的综合相图。我们已经确定了一组有趣的磁相,并将有限拓扑霍尔效应归因于最近发现的双斯基米子相。这些数据还表明,在温度刚好低于磁有序温度$T_c$的有限场中,存在反斯基米子态,正如拓扑霍尔效应符号的明显变化所表明的那样。在$T_c$上方,我们发现了一个磁响应增强的区域,对应于小磁场下铁磁临界点附近可能存在的无序相。强的自旋手性波动表现为拓扑霍尔电阻率的大值,持续到1t,这很可能是由于DM相互作用的存在。我们认为拓扑霍尔效应的变化对应于不同的拓扑自旋织构,这些织构由磁偶极子和DM相互作用控制,其重要性随温度而变化。
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引用次数: 0
Origins of the transformability of nickel-titanium shape memory alloys 镍钛形状记忆合金可变形性的起源
Pub Date : 2020-10-11 DOI: 10.1103/physrevmaterials.4.103611
Xian Chen, C. Ophus, C. Song, J. Ciston, Sambit Das, Yintao Song, Y. Chumlyakov, A. Minor, V. Gavini, R. James
The near equiatomic NiTi alloy is the most successful shape memory alloy by a large margin. It is widely and increasingly used in biomedical devices. Yet, despite having a repeatable superelastic effect and excellent shape-memory, NiTi is very far from satisfying the conditions that characterize the most reversible phase transforming materials. Thus, the scientific reasons underlying its vast success present an enigma. In this work, we perform rigorous mathematical derivation and accurate DFT calculation of transformation mechanisms to seek previously unrecognized twin-like defects that we term involution domains, and we observe them in real space in NiTi by the aberration-corrected scanning transmission electron microscopy. Involution domains lead to an additional 216 compatible interfaces between phases in NiTi, and we theorize that this feature contributes importantly to its reliability. They are expected to arise in other transformations and to alter the conventional interpretation of the mechanism of the martensitic transformation.
近等原子NiTi合金在很大程度上是最成功的形状记忆合金。它在生物医学设备中的应用越来越广泛。然而,尽管具有可重复的超弹性效应和出色的形状记忆,NiTi还远远不能满足大多数可逆相变材料的特征条件。因此,其巨大成功背后的科学原因是一个谜。在这项工作中,我们对转换机制进行了严格的数学推导和精确的DFT计算,以寻找以前未被识别的孪生缺陷,我们称之为对合域,并通过像差校正扫描透射电子显微镜在NiTi的真实空间中观察它们。对合域导致NiTi中相位之间额外的216个兼容接口,我们推测这一特征对其可靠性有重要贡献。它们有望在其他转变中出现,并改变对马氏体转变机制的传统解释。
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引用次数: 2
Crystal truncation rods from miscut surfaces with alternating terminations 晶体截断棒从错误切割的表面与交替的终止
Pub Date : 2020-10-11 DOI: 10.1103/PHYSREVB.103.125402
Guangxu Ju, Dongwei Xu, C. Thompson, M. Highland, J. Eastman, W. Walkosz, P. Zapol, G. Stephenson
A long-standing experimental challenge has been to identify the orientation of the {alpha} and {beta} terraces on basal plane surfaces of crystals with hexagonal close-packed and related structures. To demonstrate how surface X-ray scattering can be sensitive to such {alpha} vs. {beta} terminations, we develop a general theory for the intensity distributions along crystal truncation rods (CTRs) for miscut surfaces with a combination of two terminations. We consider fractional-unit-cell-height steps, and variation of the coverages of the terraces above each step. Example calculations are presented for the GaN (0001) surface with various reconstructions. These show which CTR positions are most sensitive to the fractional coverage of the two terminations. We compare the CTR profiles for exactly oriented surfaces to those for vicinal surfaces having a small miscut angle, and investigate the circumstances under which the CTR profile for an exactly oriented surface is equal to the sum of the intensities of the corresponding family of CTRs for a miscut surface.
一个长期存在的实验挑战是确定具有六边形紧密排列和相关结构的晶体基面上的{ α}和{β}梯田的方向。为了证明表面x射线散射如何对这种{ α}和{β}端点敏感,我们开发了一个关于两种端点组合的错切表面沿晶体截断棒(CTRs)的强度分布的一般理论。我们考虑了分数单位格高度的台阶,以及每个台阶以上梯田覆盖面积的变化。给出了GaN(0001)表面各种重构的计算实例。这些显示了哪个CTR位置对两个终端的分数覆盖最敏感。我们比较了精确定向表面的CTR曲线与具有小错切角的邻近表面的CTR曲线,并研究了在何种情况下,精确定向表面的CTR曲线等于错切表面的相应CTR家族的强度之和。
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引用次数: 2
Concurrence of ferroelectric, dielectric and magnetic behaviour in Tb2Ti2O7 pyrochlore Tb2Ti2O7焦绿石的铁电、介电和磁性同时行为
Pub Date : 2020-10-10 DOI: 10.1016/j.physleta.2020.127085
B. Santhosh Kumar, Rajesh Narayana Perumal, C. Venkateswaran
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引用次数: 6
Ferroelectricity and ferromagnetism in a VOI2 monolayer: Role of the Dzyaloshinskii-Moriya interaction VOI2单层中的铁电性和铁磁性:Dzyaloshinskii-Moriya相互作用的作用
Pub Date : 2020-10-10 DOI: 10.1103/PhysRevB.102.165129
N. Ding, Jun Chen, S. Dong, A. Stroppa
Multiferroics with intrinsic ferromagnetism and ferroelectricity are highly desired but rather rare, while most ferroelectric magnets are antiferromagnetic. A recent theoretical work [Phys. Rev. B {bf 99}, 195434 (2019)] predicted that oxyhalides VO$X_2$ ($X$: halogen) monolayers are two-dimensional multiferroics by violating the empirical $d^0$ rule. Most interestingly, the member VOI$_2$ are predicted to exhibit spontaneous ferromagnetism and ferroelectricity. In this work, we extend the previous study on the structure and magnetism of VOI$_2$ monolayer by using density functional theory and Monte Carlo simulation. The presence of the heavy element iodine with a strong spin-orbit coupling leads an effective Dzyaloshinskii-Moriya interaction in the polar structure, which favors a short-period spiral a magnetic structure.. Another interesting result is that the on-site Coulomb interaction can strongly suppress the polar distortion thus leading to a ferromagnetic metallic state. Therefore, the VOI2 monolayer is either a ferroelectric insulator with spiral magnetism or a ferromagnetic metal, instead of a ferromagnetic ferroelectric system. Our study highlights the key physical role of the Dzyaloshinskii-Moriya interaction.
具有本征铁磁性和铁电性的多铁体是非常需要的,但相当罕见,而大多数铁电磁体是反铁磁性的。最近的一项理论研究[物理学]。Rev. B {bf 99}, 195434(2019)]预测氧化卤化物VO$X_2$ ($X$:卤素)单层违反经验$d^0$规则是二维多铁性的。最有趣的是,VOI$_2$被预测为自发铁磁性和铁电性。本文利用密度泛函理论和蒙特卡罗模拟,对VOI$_2$单层的结构和磁性进行了扩展。重元素碘的存在与强自旋轨道耦合导致极性结构中有效的Dzyaloshinskii-Moriya相互作用,有利于短周期螺旋磁结构。另一个有趣的结果是,现场库仑相互作用可以强烈地抑制极性畸变,从而导致铁磁性金属态。因此,VOI2单层要么是具有螺旋磁性的铁电绝缘体,要么是铁磁性金属,而不是铁磁性铁电体系。我们的研究强调了Dzyaloshinskii-Moriya相互作用的关键物理作用。
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引用次数: 18
Ferroelastic Hysteresis in Thin Films of Methylammonium Lead Iodide. 碘化铅甲基铵薄膜的铁弹性迟滞。
Pub Date : 2020-10-10 DOI: 10.1021/acs.chemmater.0c03776.s001
R. Kennard, Clayton J. Dahlman, R. DeCrescent, J. Schuller, K. Mukherjee, R. Seshadri, M. Chabinyc
Mechanical strain can modify the structural and electronic properties of methylammonium lead iodide MAPbI3. The consequences of ferroelastic hysteresis, which involves the retention of structural memory upon cycles of deformation, in polycrystalline thin films of MAPbI3 are reported. Repeatedly bent films of MAPbI3 on flexible polyimide substrates were examined using Grazing Incidence Wide-Angle X-ray Scattering (GIWAXS) to quantitatively characterize the strain state, populations, and minimum sizes of twin domains. Approximate locations for the coercive stress and saturation on the ferroelastic stress-strain curve are identified, and domains from differently-strained twin sets in the films are found to interact with each other. The presence of specific twin domains is found to correlate to reports of the heterogeneity of strain states with defect content. Long-term stability testing reveals that domain walls are highly immobile over extended periods. Nucleation of new domain walls occurs for specific mechanical strains and correlates closely with degradation of the films. These results help to explain the behavior of ion migration, degradation rate, and photoluminescence in thin films under compressive and tensile strain.
机械应变可以改变甲基碘化铅铵MAPbI3的结构和电子性能。在MAPbI3的多晶薄膜中,铁弹性迟滞的结果,包括在变形周期中结构记忆的保留。利用掠入射广角x射线散射(GIWAXS)对柔性聚酰亚胺衬底上的MAPbI3重复弯曲薄膜进行了检测,以定量表征应变状态、双畴数量和最小尺寸。确定了铁弹性应力-应变曲线上矫顽力和饱和度的近似位置,并发现薄膜中不同应变孪晶组的畴之间存在相互作用。发现特定双畴的存在与缺陷含量的应变状态异质性的报告有关。长期稳定性测试表明,区域壁在长时间内高度不动。新畴壁的成核发生在特定的机械应变下,并与薄膜的降解密切相关。这些结果有助于解释薄膜在压缩和拉伸应变下离子迁移、降解率和光致发光的行为。
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引用次数: 2
Understanding Cu incorporation in the Cu2xHg2−xGeTe4 structure using resonant x-ray diffraction 用共振x射线衍射了解Cu在Cu2xHg2−xGeTe4结构中的掺入
Pub Date : 2020-10-09 DOI: 10.1103/PHYSREVMATERIALS.5.015402
Ben L. Levy-Wendt, B. Ortiz, L. C. Gomes, K. Stone, D. Passarello, E. Ertekin, E. Toberer, M. Toney
The ability to control carrier concentration based on the extent of Cu solubility in the $mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$ alloy compound (where 0 $leq$ x $leq$ 1) makes $mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$ an interesting case study in the field of thermoelectrics. While Cu clearly plays a role in this process, it is unknown exactly how Cu incorporates into the $mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$ crystal structure and how this affects the carrier concentration. In this work, we use a combination of resonant energy X-ray diffraction (REXD) experiments and density functional theory (DFT) calculations to elucidate the nature of Cu incorporation into the $mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$ structure. REXD across the $mathrm{Cu_k}$ edge facilitates the characterization of Cu incorporation in the $mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$ alloy and enables direct quantification of anti-site defects. We find that Cu substitutes for Hg at a 2:1 ratio, wherein Cu annihilates a vacancy and swaps with a Hg atom. DFT calculations confirm this result and further reveal that the incorporation of Cu occurs preferentially on one of the z = 1/4 or z = 3/4 planes before filling the other plane. Furthermore, the amount of $mathrm{Cu_{Hg}}$ anti-site defects quantified by REXD was found to be directly proportional to the experimentally measured hole concentration, indicating that the $mathrm{Cu_{Hg}}$ defects are the driving force for tuning carrier concentration in the $mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$ alloy. The link uncovered here between crystal structure, or more specifically anti-site defects, and carrier concentration can be extended to similar cation-disordered material systems and will aid the development of improved thermoelectric and other functional materials through defect engineering.
根据$mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$合金化合物(0 $leq$ x $leq$ 1)中Cu的溶解度来控制载流子浓度的能力使$mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$成为热电学领域的一个有趣的案例研究。虽然Cu显然在这一过程中发挥了作用,但Cu如何融入$mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$晶体结构以及这如何影响载流子浓度尚不清楚。在这项工作中,我们结合了共振能量x射线衍射(REXD)实验和密度泛函理论(DFT)计算来阐明Cu掺入$mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$结构的性质。通过$mathrm{Cu_k}$边缘的REXD有助于表征$mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$合金中Cu的掺入,并可以直接量化反位点缺陷。我们发现Cu以2:1的比例取代Hg,其中Cu湮灭了一个空位并与Hg原子交换。DFT计算证实了这一结果,并进一步揭示了Cu的掺入优先发生在z = 1/4或z = 3/4的一个平面上,然后再填充另一个平面。此外,通过REXD定量的$mathrm{Cu_{Hg}}$反位缺陷数量与实验测量的空穴浓度成正比,表明$mathrm{Cu_{Hg}}$缺陷是调节$mathrm{Cu_{2x}Hg_{2-x}GeTe_4}$合金载流子浓度的驱动力。这里发现的晶体结构,或者更具体地说是反位缺陷,和载流子浓度之间的联系可以扩展到类似的阳离子无序材料系统,并将通过缺陷工程帮助改进热电和其他功能材料的发展。
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引用次数: 0
Skew scattering and side jump of spin wave across magnetic texture 磁结构中自旋波的斜散射和侧跳
Pub Date : 2020-10-09 DOI: 10.1103/PHYSREVB.103.054428
Jin Lan, Jiang Xiao
Spin wave and magnetic texture are two elementary excitations in magnetic systems, and their interaction leads to rich magnetic phenomena. By describing the spin wave and the magnetic texture using their own collective coordinates, we find that they interact as classical particles traveling in mutual electromagnetic fields. Based on this unified collective coordinate model, we find that both skew scattering and side jump may occur as spin wave passing through magnetic textures. The skew scattering is associated with the magnetic topology of the texture, while the side jump is correlated to the total magnetization of the texture. We illustrate the concepts of skew scattering and side jump by investigating the spin wave trajectories across the topological magnetic Skyrmion and the topologically trivial magnetic bubble respectively.
自旋波和磁织构是磁系统中的两种基本激励,它们的相互作用导致了丰富的磁现象。通过用它们自己的集体坐标描述自旋波和磁织构,我们发现它们作为在相互电磁场中运动的经典粒子相互作用。基于这个统一的集体坐标模型,我们发现自旋波通过磁性织构时,会发生偏斜散射和侧跳。斜向散射与织构的磁性拓扑结构有关,而侧跃与织构的总磁化强度有关。我们分别通过研究拓扑磁Skyrmion和拓扑平凡磁泡上的自旋波轨迹来说明倾斜散射和侧跃的概念。
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引用次数: 11
The effect of ion irradiation on dephasing of coherent optical phonons in GaP 离子辐照对GaP中相干光学声子消相的影响
Pub Date : 2020-10-08 DOI: 10.1063/5.0020810
Takuto Ichikawa, Y. Saito, M. Hase
The dephasing of coherent longitudinal optical (LO) phonons in ion-irradiated GaP has been investigated with a femtosecond pump-probe technique based on electro-optic sampling. The dephasing time of the coherent LO phonon is found to be dramatically prolonged by the introduction of a small amount of defects by means of Ga-ion irradiation. The maximum dephasing time observed at room temperature is 9.1 ps at a Ga$^{+}$ ion dose of 10$^{13}$/cm$^{2}$, which is significantly longer than the value of 8.3 ps for GaP before ion irradiation. The longer dephasing time is explained in terms of the suppression of electron-LO-phonon scattering by the presence of defect-induced deep levels.
利用基于电光采样的飞秒泵浦探测技术研究了离子辐照GaP中相干纵向光学声子的消相现象。研究发现,在砷离子辐照下,少量缺陷的引入大大延长了相干LO声子的消相时间。当Ga$^{+}$离子剂量为10$^{13}$/cm$^{2}$时,在室温下观察到的最大失相时间为9.1 ps,明显大于离子辐照前GaP的8.3 ps。较长的消相时间是由缺陷诱导的深能级抑制电子- lo -声子散射来解释的。
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引用次数: 0
Vacancy defects induced changes in the electronic and optical properties of NiO studied by spectroscopic ellipsometry and first-principles calculations 利用椭圆偏振光谱和第一性原理计算研究了空位缺陷引起的NiO电子和光学性质的变化
Pub Date : 2020-10-07 DOI: 10.1063/5.0021650
K. Egbo, C. Liu, C. Ekuma, K. Yu
Native defects in semiconductors play an important role in their optoelectronic properties. Nickel oxide (NiO) is one of the few wide-gap p-type oxide semiconductors and its conductivity is believed to be controlled primarily by Ni-vacancy acceptors. Herein, we present a systematic study comparing the optoelectronic properties of stoichiometric NiO, oxygen-rich NiO with Ni vacancies (NiO:VNi), and Ni-rich NiO with O vacancies (NiO:VO). The optical properties were obtained by spectroscopic ellipsometry, while valence band spectra were probed by high-resolution x-ray photoelectron spectroscopy. The experimental results are directly compared to first-principles density functional theory + U calculations. Computational results confirm that gap states are present in both NiO systems with vacancies. Gap states in NiO:Vo are predominantly Ni 3d states, while those in NiO:VNi are composed of both Ni 3d and O 2p states. The absorption spectra of the NiO:VNi sample show significant defect-induced features below 3.0 eV compared to NiO and NiO:VO samples. The increase in sub-gap absorptions in NiO:VNi can be attributed to gap states observed in the electronic density of states. The relation between native vacancy defects and electronic and optical properties of NiO are demonstrated, showing that at similar vacancy concentration, the optical constants of NiO:VNi deviate significantly from those of NiO:VO. Our experimental and computational results reveal that although VNi are effective acceptors in NiO, they also degrade the visible transparency of the material. Hence, for transparent optoelectronic device applications, an optimization of native VNi defects with extrinsic doping is required to simultaneously enhance p-type conductivity and transparency.
半导体中的天然缺陷对其光电性能起着重要的作用。氧化镍(NiO)是为数不多的宽间隙p型氧化物半导体之一,其电导率主要由ni空位受体控制。在此,我们系统地研究了化学计量NiO,富氧NiO与Ni空位(NiO:VNi)和富镍NiO与O空位(NiO:VO)的光电性能。光学性质采用椭圆偏振光谱法测定,价带光谱采用高分辨率x射线光电子能谱法测定。实验结果与第一性原理密度泛函理论+ U计算结果进行了直接比较。计算结果证实了两种有空位的NiO体系都存在间隙态。NiO:Vo中的间隙态主要是Ni 3d态,而NiO:VNi中的间隙态主要是Ni 3d态和o2p态。与NiO和NiO:VO样品相比,NiO:VNi样品的吸收光谱在3.0 eV以下表现出明显的缺陷诱导特征。NiO:VNi中亚隙吸收的增加可归因于在态的电子密度中观察到的隙态。结果表明,在相同的空位浓度下,NiO:VNi的光学常数与NiO:VO的光学常数存在较大的偏差。我们的实验和计算结果表明,虽然VNi是NiO中的有效受体,但它们也会降低材料的可见透明度。因此,对于透明光电器件的应用,需要通过外源掺杂对VNi缺陷进行优化,以同时提高p型电导率和透明度。
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引用次数: 34
期刊
arXiv: Materials Science
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