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Mott gap filling by doping electrons through depositing one sub-monolayer thin film of Rb on Ca2CuO2Cl2 通过在 Ca2CuO2Cl2 上沉积一层亚单层掺杂电子的铷薄膜来填充莫特缺口
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-08 DOI: 10.1088/0256-307x/41/5/057402
Han Li, Zhaohui Wang, Shengtai Fan, Huazhou Li, Huan Yang, Hai-Hu Wen
Understanding the doping evolution from a Mott insulator to a superconductor probably holds the key to resolve the mystery of unconventional superconductivity in copper oxides. To elucidate the evolution of the electronic state starting from the Mott insulator, we dose the surface of the parent phase Ca2CuO2Cl2 by depositing Rb atoms, which are supposed to donate electrons to the CuO2 planes underneath. We successfully achieved the Rb sub-monolayer thin films in forming the square lattice. The scanning tunneling microscopy or spectroscopy measurements on the surface show that the Fermi energy is pinned within the Mott gap but close to the edge of the charge transfer band. In addition, an in-gap state appears at the bottom of the upper Hubbard band (UHB), and the Mott gap will be significantly diminished. Combined with the Cl defect and the Rb adatom/cluster results, the electron doping is likely to increase the spectra weight of the UHB for the double occupancy. Our results provide information to understand the electron doping to the parent compound of cuprates.
了解从莫特绝缘体到超导体的掺杂演化可能是解开铜氧化物中非常规超导之谜的关键。为了阐明从莫特绝缘体开始的电子态演化,我们在母相 Ca2CuO2Cl2 的表面掺入了 Rb 原子,它们应该会向下面的 CuO2 平面提供电子。我们成功地使 Rb 亚单层薄膜形成了方形晶格。表面的扫描隧道显微镜或光谱测量结果表明,费米能被固定在莫特隙内,但接近电荷转移带的边缘。此外,在上哈伯带(UHB)的底部会出现一个隙内态,莫特隙会显著减小。结合 Cl 缺陷和 Rb adatom/cluster 的结果,电子掺杂可能会增加双占位 UHB 的谱重。我们的研究结果为理解铜氧化物母化合物的电子掺杂提供了信息。
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引用次数: 0
The influence of high pressure induced lattice dislocations and distortions on the thermoelectric performance of pristine SnTe 高压诱导的晶格位错和畸变对原始 SnTe 热电性能的影响
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-03 DOI: 10.1088/0256-307x/41/5/057301
Bowen Zheng, Tao Chen, Hairui Sun, Manman Yang, Bingchao Yang, Xin Chen, Yongsheng Zhang, Xiaobing Liu
As a sister compound of PbTe, SnTe possesses the environmentally friendly elements. However, the pristine SnTe compounds suffer from the high carrier concentration, the large valence band offset between the L and ∑ positions and high thermal conductivity. Using high pressure and high temperature technology, we have synthesized the pristine SnTe samples at different pressure and systemically investigated their thermoelectric properties. High pressure introduced rich microstructures, including the high density dislocations and lattice distortions, which served as the strong phonon scattering centers, thereby reducing the lattice thermal conductivity. For the electrical properties, pressure reduced the harmful high carrier concentration, due to the depression of Sn vacancies. Moreover, pressure induced the valence band convergence, reducing the energy separation between the L and ∑ positions. The band convergence and suppressed carrier concentration increased the Seebeck coefficient. Thus, the power factors of pressure-sintered compounds did not deteriorate significantly under the condition of electrical conductivity decreases. Ultimately, for a pristine SnTe compound synthesized at 5 GPa, a higher ZT value of 0.51 was achieved at 750 K, representing an 140% improvement compared to the value of 0.21 obtained using SPS. Therefore, the high-pressure and high-temperature technology has been demonstrated as an effectively approach to optimize thermoelectric performance.
作为 PbTe 的姊妹化合物,SnTe 具有环保元素。然而,原始 SnTe 化合物存在载流子浓度高、L 位置和 ∑ 位置之间价带偏移大以及热导率高等问题。我们利用高压和高温技术,在不同压力下合成了原始 SnTe 样品,并系统地研究了它们的热电性能。高压引入了丰富的微结构,包括高密度位错和晶格畸变,它们成为了强声子散射中心,从而降低了晶格热导率。在电学特性方面,由于锡空位的减少,压力降低了有害的高载流子浓度。此外,压力还促使价带收敛,减少了 L 和 ∑ 位置之间的能量分离。价带收敛和载流子浓度的抑制增加了塞贝克系数。因此,在电导率下降的条件下,压力烧结化合物的功率因数并没有显著恶化。最终,在 5 GPa 下合成的原始 SnTe 化合物在 750 K 时的 ZT 值提高到了 0.51,比使用 SPS 时的 0.21 提高了 140%。因此,高压高温技术已被证明是优化热电性能的有效方法。
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引用次数: 0
Reversible optical isolators and quasi-circulators using a magneto-optical Fabry-Pérot cavity 使用磁光法布里-佩罗腔的可逆光学隔离器和准循环器
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-03 DOI: 10.1088/0256-307X/41/4/044205
Tiantian Zhang, Wenpeng Zhou, Zhixiang Li, Yutao Tang, Fan Xu, Haodong Wu, Han Zhang, Jiangshan Tang, Ya-Ping Ruan, Keyu Xia
Nonreciprocal optical devices are essential for laser protection, modern optical communication and quantum information processing by enforcing one-way light propagation. The conventional Faraday magneto-optical nonreciprocal devices rely on a strong magnetic field, which is provided by a permanent magnet. As a result, the isolation direction of such devices is fixed and severely restrict their applications in quantum networks. In this work, we experimentally demonstrate the simultaneous one-way transmission and unidirectional reflection by using a magneto-optical Fabry-Pérot cavity and a magnetic field strength of 50 mT. An optical isolator and a three-port quasi-circulator are realized based on this nonreciprocal cavity system. The isolator achieves an isolation ratio of up to 22 dB and an averaged insertion loss down to 0.97 dB. The quasi-circulator is realized with a fidelity exceeding 99% and an overall survival probability of 89.9%, corresponding to an insertion loss of ~0.46 dB. The magnetic field is provided by an electromagnetic coil, thereby allowing for reversing the light circulating path. The reversible quasi-circulator paves the way for building reconfigurable quantum networks.
非互易光学器件通过强制光的单向传播,对激光保护、现代光通信和量子信息处理至关重要。传统的法拉第磁光非互易器件依赖于由永久磁铁提供的强磁场。因此,这类器件的隔离方向是固定的,严重限制了其在量子网络中的应用。在这项工作中,我们利用磁光法布里-佩罗腔和 50 mT 的磁场强度,通过实验演示了同时单向传输和单向反射。基于这种非互易腔系统,我们实现了一个光隔离器和一个三端口准循环器。隔离器的隔离比高达 22 dB,平均插入损耗低至 0.97 dB。准循环器的保真度超过 99%,总体存活概率为 89.9%,插入损耗约为 0.46 dB。磁场由电磁线圈提供,因此可以逆转光循环路径。可逆准循环器为构建可重新配置的量子网络铺平了道路。
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引用次数: 0
Anisotropic $s$-wave gap in the vicinity of a quantum critical point in superconducting BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_2$ single crystals: a study of point-contact spectroscopy 超导 BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_2$单晶量子临界点附近的各向异性$s$波间隙:点接触光谱学研究
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-02 DOI: 10.1088/0256-307x/41/4/047402
Hong-xing Zhan, Yu-chi Lin, Yu-qing Zhao, Hai-yan Zuo, Xing-yu Wang, Xiao-yan Ma, Chun-hong Li, Hui-qian Luo, Gen-fu Chen, Shi-liang Li, Cong Ren
Here we report on soft $c$-axis point-contact Andreev reflection (PCAR) spectroscopy combining with resistivity measurements on BaFe$_2$(As$_{0.7}$P$_{0.3}$)$_2$, to elucidate the superconducting gap structure in the vicinity of the QCP. A double-peak at the gap edge plus a dip feature at zero-bias has been observed on the PCAR spectra, indicative of the presence of a nodeless gap in BaFe$_2$(As$_{0.7}$P$_{0.3}$)$_2$. Detailed analysis within a sophisticated theoretical model reveal an anisotropic gap with deep gap minima. The PCARs also feature additional structures related to the electron-bosonic coupling mode. Using the extracted superconducting energy gap value, a characteristic bosonic energy $Omega_{b}$ and its temperature dependence are obtained, comparable with the spin-resonance energy observed in neutron scattering experiment. These results indicate a magnetism-driven quantum critical point in BaFe$_2$(As$_{1-x}$P$_x$)$_2$ system.
在此,我们报告了结合对 BaFe$_2$(As$_{0.7}$P$_{0.3}$)$_2$ 的电阻率测量的软 $c$ 轴点接触安德烈耶夫反射 (PCAR) 光谱,以阐明 QCP 附近的超导间隙结构。在 PCAR 光谱上观察到了间隙边缘的双峰和零偏压时的凹陷特征,这表明 BaFe$_2$(As$_{0.7}$P$_{0.3}$)$_2$ 中存在无节点间隙。在一个复杂的理论模型中进行的详细分析显示,存在一个各向异性的间隙,间隙极小值很深。PCAR 还具有与电子-玻色耦合模式相关的附加结构。利用提取的超导能隙值,可以得到一个特征玻色子能量 $Omega_{b}$ 及其温度依赖性,与中子散射实验中观测到的自旋共振能量相当。这些结果表明 BaFe$_2$(As$_{1-x}$P$_x$)$_2$ 系统中存在一个磁驱动的量子临界点。
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引用次数: 0
Theory for Charge Density Wave and Orbital-Flux State in Antiferromagnetic Kagome Metal FeGe 反铁磁性 Kagome 金属 FeGe 中的电荷密度波和轨道通态理论
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-01 DOI: 10.1088/0256-307x/41/4/047103
Hai-Yang Ma, Jia-Xin Yin, M. Zahid Hasan, Jianpeng Liu
We theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe. Based on first-principles density functional theory calculations, we study the electronic structures, Fermi-surface quantum fluctuations, as well as phonon properties of the antiferromagnetic kagome metal FeGe. It is found that charge density wave emerges in such a system due to a subtle cooperation between electron–electron interactions and electron–phonon couplings, which gives rise to an unusual scenario of interaction-triggered phonon instabilities, and eventually yields a charge density wave (CDW) state. We further show that, in the CDW phase, the ground-state current density distribution exhibits an intriguing star-of-David pattern, leading to flux density modulation. The orbital fluxes (or current loops) in this system emerge as a result of the subtle interplay between magnetism, lattice geometries, charge order, and spin-orbit coupling (SOC), which can be described by a simple, yet universal, tight-binding theory including a Kane–Mele-type SOC term and a magnetic exchange interaction. We further study the origin of the peculiar step-edge states in FeGe, which sheds light on the topological properties and correlation effects in this new type of kagome antiferromagnetic material.
我们从理论上研究了一种新型反铁磁性卡戈梅金属 FeGe 的电荷序和轨道磁性。基于第一原理密度泛函理论计算,我们研究了反铁磁性卡戈梅金属 FeGe 的电子结构、费米面量子波动以及声子特性。研究发现,由于电子-电子相互作用和电子-声子耦合之间的微妙合作,电荷密度波在这样的体系中出现了,这引起了相互作用触发的声子不稳定性的不寻常情况,并最终产生了电荷密度波(CDW)态。我们进一步表明,在 CDW 阶段,基态电流密度分布呈现出一种有趣的大卫之星模式,从而导致通量密度调制。该系统中的轨道磁通量(或电流环)是磁性、晶格几何、电荷秩序和自旋轨道耦合(SOC)之间微妙相互作用的结果,可以用一种简单而普遍的紧约束理论来描述,该理论包括 Kane-Mele 型 SOC 项和磁交换相互作用。我们进一步研究了铁锗中奇特阶梯边状态的起源,从而揭示了这种新型卡戈梅反铁磁材料的拓扑特性和相关效应。
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引用次数: 0
Critical Opalescence and Its Impact on the Jet Quenching Parameter q^ 临界光度及其对喷流淬火参数 q^ 的影响
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-01 DOI: 10.1088/0256-307x/41/3/031202
Jing Wu, Shanshan Cao, Feng Li
Jet quenching parameter q^ is essential for characterizing the interaction strength between jet partons and nuclear matter. Based on the quark-meson model, we develop a new framework for calculating q^ at finite chemical potentials, in which q^ is related to the spectral function of the chiral order parameter. A mean field perturbative calculation up to the one-loop order indicates that the momentum broadening of jets is enhanced at both high temperature and high chemical potential, and approximately proportional to the parton number density in the partonic phase. We further investigate the behavior of q^ in the vicinity of the critical endpoint (CEP) by coupling our calculation with a recently developed equation of state that includes a CEP in the universality class of the Ising model, from which we discover the partonic critical opalescence, i.e., the divergence of scattering rate of jets and their momentum broadening at the CEP, contributed by scatterings via the σ exchange process. Hence, for the first time, jet quenching is connected with the search of CEP.
射流淬火参数 q^ 对于描述射流粒子与核物质之间的相互作用强度至关重要。基于夸克-介子模型,我们建立了一个在有限化学势下计算 q^ 的新框架,其中 q^ 与手性阶参数的谱函数相关。达到一环阶的均场微扰计算表明,喷流的动量展宽在高温和高化学势下都会增强,并且与部分子相的部分子数密度近似成正比。我们进一步研究了q^在临界端点(CEP)附近的行为,将我们的计算与最近开发的状态方程耦合,其中包括伊辛模型普遍性类别中的CEP,由此我们发现了部分子临界开光,即在CEP处由通过σ交换过程的散射贡献的射流散射率及其动量展宽的发散。因此,这是第一次将射流淬火与 CEP 的搜索联系起来。
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引用次数: 0
Random Green’s Function Method for Large-Scale Electronic Structure Calculation 用于大规模电子结构计算的随机格林函数法
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-01 DOI: 10.1088/0256-307x/41/5/053102
Mingfa Tang, Chang Liu, Aixia Zhang, Qingyun Zhang, Jiayu Zhai, Shengjun Yuan, Youqi Ke
We report a linear-scaling random Green’s function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H2O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H2O clusters at T = 0 K can reach an error of ∼ 1 meV per H2O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.
我们报告了一种用于大规模电子结构计算的线性缩放随机格林函数(rGF)方法。在这种方法中,rGF 定义在一组随机态上,并通过投影到 Krylov 子空间进行高效计算。利用 rGF 方法,可以直接得到费米-狄拉克算子,避免了费米-狄拉克函数的多项式展开。为了证明其适用性,我们用密度函数紧约束方法实现了 rGF 方法。结果表明,对于零温下具有不同间隙的材料(包括 H2O 和硅簇),克雷洛夫子空间可以保持在较小的尺寸。我们通过简单的放缩技术发现,与确定性计算相比,rGF 自洽计算 H2O 团簇在 T = 0 K 时每个 H2O 分子的总能量误差可达 ∼ 1 meV。rGF方法为大规模电子结构模拟提供了一种有效的随机方法。
{"title":"Random Green’s Function Method for Large-Scale Electronic Structure Calculation","authors":"Mingfa Tang, Chang Liu, Aixia Zhang, Qingyun Zhang, Jiayu Zhai, Shengjun Yuan, Youqi Ke","doi":"10.1088/0256-307x/41/5/053102","DOIUrl":"https://doi.org/10.1088/0256-307x/41/5/053102","url":null,"abstract":"We report a linear-scaling random Green’s function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states and is efficiently calculated by projecting onto Krylov subspace. With the rGF method, the Fermi–Dirac operator can be obtained directly, avoiding the polynomial expansion to Fermi–Dirac function. To demonstrate the applicability, we implement the rGF method with the density-functional tight-binding method. It is shown that the Krylov subspace can maintain at small size for materials with different gaps at zero temperature, including H<sub>2</sub>O and Si clusters. We find with a simple deflation technique that the rGF self-consistent calculation of H<sub>2</sub>O clusters at <italic toggle=\"yes\">T</italic> = 0 K can reach an error of ∼ 1 meV per H<sub>2</sub>O molecule in total energy, compared to deterministic calculations. The rGF method provides an effective stochastic method for large-scale electronic structure simulation.","PeriodicalId":10344,"journal":{"name":"Chinese Physics Letters","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140929695","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
Flat Band and η-Pairing States in a One-Dimensional Moiré Hubbard Model 一维莫伊里赫伯德模型中的平带和η配对态
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-04-01 DOI: 10.1088/0256-307x/41/4/047101
R. Wang, Z. Song
A Moiré system is formed when two periodic structures have a slightly mismatched period, resulting in unusual strongly correlated states in the presence of particle-particle interactions. The periodic structures can arise from the intrinsic crystalline order and periodic external field. We investigate a one-dimensional Hubbard model with periodic on-site potential of period n0, which is commensurate to the lattice constant. For large n0, the exact solution demonstrates that there is a midgap flat band with zero energy in the absence of Hubbard interaction. Each Moiré unit cell contributes two zero energy levels to the flat band. In the presence of Hubbard interaction, the midgap physics is demonstrated to be well described by a uniform Hubbard chain in which the effective hopping and on-site interaction strength can be controlled by the amplitude and period of the external field. Numerical simulations are performed to demonstrate the correlated behaviors in the finite-sized Moiré Hubbard system, including the existence of an η-pairing state and bound pair oscillation. This finding provides a method to enhance the correlated effect by a spatially periodic external field.
当两个周期性结构的周期略微不匹配时,就会形成莫伊里系统,从而在粒子间相互作用的情况下产生不寻常的强相关态。周期性结构可能源于内在晶体秩序和周期性外部场。我们研究了一个一维哈伯德模型,该模型具有周期为 n0(与晶格常数相称)的周期性现场势。对于大 n0,精确解表明,在没有哈伯德相互作用的情况下,存在一个能量为零的中隙平带。每个莫伊里单元都为平带贡献了两个零能级。在存在哈伯德相互作用的情况下,中隙物理学被证明是由均匀哈伯德链很好地描述的,其中的有效跳变和现场相互作用强度可以由外部场的振幅和周期控制。数值模拟证明了有限尺寸莫伊里哈伯系统中的相关行为,包括η配对态的存在和束缚对振荡。这一发现提供了一种通过空间周期性外场增强相关效应的方法。
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引用次数: 0
Magneto-optic Kerr Effect Measurement of TbMn6Sn6 at mK-Temperature mK 温度下 TbMn6Sn6 的磁光克尔效应测量
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-03-21 DOI: 10.1088/0256-307x/41/4/047801
Daiqiang Huang, Yang Wang, He Wang, Jian Wang, Yang Liu
Novel electron states stabilized by Coulomb interactions attract tremendous interests in condensed matter physics. These states are studied by corresponding phase transitions occurring at extreme conditions such as mK-temperatures and high magnetic field. In this work, we introduce a magneto-optical Kerr effect (MOKE) measurement system to comprehensively explore these phases in addition to conventional transport measurement. This system, composed of an all-fiber zero-loop Sagnac interferometer and in-situ piezo-scanner inside a dilution refrigerator, operates below 100 millikelvin, with a maximum field of 12 Tesla and has a resolution as small as 0.2 $mu rad$. As a demonstration, we investigate TbMn$_6mathrm{Sn}_6$, where the manganese atoms form Kagome lattice that hosts topological non-trivial Dirac cones. We observed two types of Kerr signals, stemming from its fully polarized ferromagnetic ground state and positive charged carriers within the Dirac-like dispersion.
库仑相互作用稳定的新电子态引起了凝聚态物理学的极大兴趣。这些态是通过在 mK 温度和高磁场等极端条件下发生的相应相变来研究的。在这项工作中,我们介绍了一种磁光克尔效应(MOKE)测量系统,以便在传统的传输测量之外全面探索这些相态。该系统由稀释冰箱内的全光纤零环萨格纳克干涉仪和原位压电扫描仪组成,工作温度低于 100 毫开尔文,最大磁场为 12 特斯拉,分辨率小至 0.2 $mu rad$。作为演示,我们研究了 TbMn$_6mathrm{Sn}_6$,其中的锰原子形成的 Kagome 晶格承载着拓扑非三维狄拉克锥。我们观察到两种类型的克尔信号,分别来自其完全极化的铁磁基态和类狄拉克色散内的正电载流子。
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引用次数: 0
Orbital-ordering driven simultaneous tunability of magnetism and electric polarization in strained monolayer VCl3 轨道排序驱动应变单层 VCl3 的磁性和电极化同时可调
IF 3.5 2区 物理与天体物理 Q2 Physics and Astronomy Pub Date : 2024-03-21 DOI: 10.1088/0256-307x/41/4/047501
Deping Guo, Cong Wang, Lvjin Wang, Yunhao Lu, Hua Wu, Yanning Zhang, Wei Ji
Two-dimensional (2D) van der Waals magnetic materials have demonstrated promising and versatile electronic and magnetic properties in the 2D limit, indicating a considerable potential to advance spintronic applications. Theoretical predictions thus far have not ascertained whether monolayer VCl3 is a ferromagnetic (FM) or anti-FM monolayer; this also remains to be experimentally verified. This study entailed a theoretical investigation of the influence of potential factors, including C3 symmetry breaking, orbital ordering, epitaxial strain, and charge doping, on the magnetic ground state. Utilizing first-principles calculations, we predicted a collinear Type-III FM ground state in monolayer VCl3 with a broken C3 symmetry, wherein only the former two of three t 2gorbitals (a 1g, e π g2, and e π g1) are occupied. The atomic layer thickness and bond angles of monolayer VCl3 undergo abrupt changes driven by an orbital ordering switch, resulting in concomitant structural and magnetic phase transitions. Introducing doping to the underlying Cl atoms of monolayer VCl3 without C3 symmetry simultaneously induces in- and out-of-plane polarizations. This can achieve a multiferroic phase transition if combined with the discovered adjustments of magnetic ground state and polarization magnitude under strain. The establishment of an orbital-ordering driven regulatory mechanism can facilitate deeper exploration and comprehension of magnetic properties of strongly correlated systems in monolayer VCl3.
二维(2D)范德华磁性材料在二维极限中表现出了前景广阔的多功能电子和磁性能,这表明它们在推动自旋电子应用方面具有相当大的潜力。迄今为止,理论预测尚未确定单层 VCl3 是铁磁(FM)单层还是反 FM 单层;这一点也有待实验验证。本研究需要对潜在因素(包括 C3 对称性破坏、轨道有序化、外延应变和电荷掺杂)对磁基态的影响进行理论研究。利用第一原理计算,我们预测了单层 VCl3 中具有 C3 对称性破缺的共线 III 型调频基态,其中三个 t 2 轨道(a 1g、e π g2 和 e π g1)中只有前两个被占据。在轨道有序转换的驱动下,单层 VCl3 的原子层厚度和键角发生了突变,从而导致结构和磁性相变。在无 C3 对称性的单层 VCl3 底层 Cl 原子中引入掺杂物,可同时诱导面内和面外极化。如果结合已发现的磁基态调整和应变下的极化幅度,就能实现多铁性相变。轨道排序驱动调节机制的建立有助于深入探索和理解单层 VCl3 中强相关系统的磁性。
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引用次数: 0
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Chinese Physics Letters
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