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Xueyun Wang

Publications and source records attributed to Xueyun Wang.

33 records · Page 2Linked to original sources
arXiv2019

Thickness-dependent in-plane polarization and structural phase transition in van der Waals Ferroelectric CuInP2S6

Van der Waals (vdW) layered materials have rather weaker interlayer bonding than the intra-layer bonding, therefore the exfoliation along the stacking direction enables the achievement of monolayer or few layers vdW materials with emerging novel physical properties and functionalities. The ferroelectricity in vdW materials recently attracts renewed interest for the potential use in high-density storage devices. As the thickness going thinner, the competition between the surface energy, depolarization field and interfacial chemical bonds may give rise to the modification of ferroelectricity and crystalline structure, which has limited investigations. In this work, combining the piezoresponse force microscope scanning, contact resonance imaging, we report the existence of the intrinsic in-plane polarization in vdW ferroelectrics CuInP2S6 (CIPS) single crystals, whereas below a critical thickness between 90-100 nm, the in-plane polarization disappears. The Young's modulus also shows an abrupt stiffness at the critical thickness. Based on the density functional theory calculations, we ascribe these behaviors to a structural phase transition from monoclinic to trigonal structure, which is further verified by transmission electron microscope technique. Taken together, these findings demonstrate the foundational importance of structural phase transition for enhancing the rich functionality and broad utility of vdW ferroelectrics.

cond-mat.mtrl-sci↗
arXiv2019

Anomalous lattice thermal conductivity in layered materials MNCl (M=Zr, Hf) driven by the lanthanide contraction

High performance thermoelectric devices requires materials with low lattice thermal conductivities. Many strategies, such as phonon engineering, have been made to reduce lattice thermal conductivity without simultaneously decrease of the charge transport performance. It is a simple and effective approach to use materials with heavy element to reduce the lattice thermal conductivity. Here, based on the first-principles calculations and phonon Boltzmann transport equations, we find the replacement of Zr with heavy element Hf in ZrNCl doesn't reduce the lattice thermal conductivity, instead, it surprisingly increases by about 4 times at 300K. This unusual lattice thermal conductivity is mainly attributed to the dramatic enhancement in phonon lifetimes in Hf compound, originating from the strong interatomic bonding due to lanthanide contraction. Our findings unveil the microscopic mechanisms of high thermal transport properties in materials with heavy element, providing an alternative strategy in materials design with low lattice thermal conductivity for thermoelectric applications such as power restoration and generation.

cond-mat.mtrl-sci↗
arXiv2019

The coexistence of magnetism and ferroelectricity in 3d transition metal doped SnTe monolayer

The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity is reported in monolayer SnTe system by transition metal (TM) doping. Based on first-principles calculations, the spontaneous spin polarization could be realized by TM doping in ferroelectric SnTe monolayer. In addition to in-plane ferroelectric polarization, the out-of-plane ferroelectric polarization emerges in Mn (Fe)-doped SnTe monolayer due to the internal displacement of TM from the surface. Interestingly, the crystalline field centered on TM and interaction between the dopant and Te gradually enhanced with the increment of atomic number of doping elements, which explains why the formation energy decreases. The realization of multiferroics in SnTe monolayer could provide theoretical guidance for experimental preparation of low-dimensional multiferroic materials.

cond-mat.mtrl-sci↗
arXiv2018

Two-dimensional spin liquid behaviour in the triangular-honeycomb antiferromagnet TbInO$_3$

Spin liquid ground states are predicted to arise within several distinct scenarios in condensed matter physics. The observation of these disordered magnetic states is particularly pervasive amongst a class of materials known as frustrated magnets, in which the competition between various magnetic exchange interactions prevents the system from adopting long-range magnetic order at low temperatures. Spin liquids continue to be of great interest due to their exotic nature and the possibility that they may support fractionalised excitations, such as Majorana fermions. Systems that allow for such phenomena are not only fascinating from a fundamental perspective but may also be practically significant in future technologies based on quantum computation. Here we show that the underlying antiferromagnetic sublattice in TbInO$_3$ undergoes a crystal field induced triangular-to-honeycomb dilution at low temperatures. The absence of a conventional magnetic ordering transition at the lowest measurable temperatures indicates that another critical mechanism must govern in the ground state selection of TbInO$_3$. We propose that anisotropic exchange interactions, mediated through strong spin-orbit coupling on the emergent honeycomb lattice of TbInO$_3$, give rise to a highly frustrated spin liquid.

cond-mat.str-el↗
arXiv2018

High Curie temperature half metallic 2D M2Se3 (M = Co, Ni, and Pd) monolayers with superior mechanical flexibility

Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT) investigation on the 2D M2Se3 (M=Co, Ni and Pd) monolayers to understand their structural stabilities, electronic, magnetic and mechanical properties. Our results show that the Co2Se3 monolayer exhibits a fascinating half-metallic ferromagnetism with high Curie temperature (>700K). In addition, due to their unique buckling hinge-like structure, M2Se3 monolayers possess the large out-of-plane negative Poisson's ratio (NPR) and superior mechanical flexibility evidenced by their unusual critical strain two times greater than the well-known 2D materials. These findings imply that 2D M2Se3 family is the promising materials for the applications in the flexible and high-density spintronic nanodevices.

cond-mat.mtrl-sci↗
arXiv2018

Non-monotonic thickness dependence of Curie temperature and ferroelectricity in Two-dimensional SnTe film

Recently, the observation of atomic thin film SnTe with a Curie temperature (Tc) higher than that of the bulk (Chang et. al., Science 353, 274 (2016)) has boosted the research on two-dimensional (2D) ferroic materials tremendously. However, the origin of such phenomenon has yet been thoroughly investigated, which hinder the understanding and design of novel materials with ferroic orders at 2D limit. By using the density functional theory, we investigated the structural and ferroelectrical properties of 2D SnTe, to reveal the thickness dependence. The calculated results demonstrate that the 2D SnTe automatically transform into periodical bilayer structure, resulting from the surface effect. Moreover, based on the double-well potential and atomic distortion analysis, we found the Tc of the 2D SnTe is higher than the bulk counterpart, and more surprisingly, the Tc exhibits an unusual non-monotonous dependence of thickness, featuring a pronounced atomic distortion and Curie temperature maximum at 8 atomic-layers. In addition, this non-monotonous dependence is sensitive to the external strain and it can be tuned easily by the external compressive strain.

cond-mat.mtrl-sci↗
arXiv2018

Topological phase transition with nanoscale inhomogeneity in (Bi$_{1-x}$In$_{x}$)$_{2}$Se$_{3}$

Topological insulators are a class of band insulators with non-trivial topology, a result of band inversion due to the strong spin-orbit coupling. The transition between topological and normal insulator can be realized by tuning the spin-orbit coupling strength, and has been observed experimentally. However, the impact of chemical disorders on the topological phase transition was not addressed in previous studies. Herein, we report a systematic scanning tunneling microscopy/spectroscopy and first-principles study of the topological phase transition in single crystals of In doped Bi$_2$Se$_3$. Surprisingly, no band gap closure was observed across the transition. Furthermore, our spectroscopic-imaging results reveal that In defects are extremely effective "suppressors" of the band inversion, which leads to microscopic phase separation of topological-insulator-like and normal-insulator-like nano regions across the "transition". The observed topological electronic inhomogeneity demonstrates the significant impact of chemical disorders in topological materials, shedding new light on the fundamental understanding of topological phase transition.

cond-mat.str-el↗
arXiv2017

Strain induced incommensurate phases in hexagonal manganites

An incommensurate phase refers to a solid state in which the period of a superstructure is incommensurable with the primitive unit cell. Recently the incommensurate phase is induced by applying an in-plane strain to hexagonal manganites, which demonstrates single chiral modulation of six domain variants. Here we employ Landau theory in combination with the phase-field method to investigate the incommensurate phase in hexagonal manganites. It is shown that the equilibrium wave length of the incommensurate phase is determined by temperature and the magnitude of the applied strain, and a temperature-strain phase diagram is constructed for the stability of the incommensurate phase. Temporal evolution of domain structures reveals that the applied strain not only produces the force pulling the vortices and anti-vortices in opposite directions, but also results in the creation and annihilation of vortex-antivortex pairs.

cond-mat.mtrl-sci↗
arXiv2017

Three-dimensional vortex structures and dynamics in hexagonal manganites

Hexagonal manganites REMnO3 (RE, rare earths) have attracted significant attention due to their potential applications as multiferroic materials and the intriguing physics associated with the topological defects. The two-dimensional (2D) and 3D domain and vortex structure evolution of REMnO3 is predicted using the phase-field method based on a thermodynamic potential constructed from first-principles calculations. In 3D spaces, vortex lines show three types of topological changes, i.e. shrinking, coalescence, and splitting, with the latter two caused by the interaction and exchange of vortex loops. Compared to the coarsening rate of the isotropic XY model, the six-fold degeneracy gives rise to negligible differences with the vortex-antivortex annihilation controlling the scaling dynamics, whereas the anisotropy of interfacial energy results in a deviation. The temporal evolution of domain and vortex structures serves as a platform to fully explore the mesoscale mechanisms for the 0-D and 1-D topological defects.

cond-mat.mtrl-sci↗
arXiv2016

Sudden gap-closure across the topological phase transition in Bi$_{2-x}$In$_{x}$Se$_{3}$

The phase transition from a topological insulator to a trivial band insulator is studied by angle-resoled photoemission spectroscopy on Bi$_{2-x}$In$_{x}$Se$_{3}$ single crystals. We first report the complete evolution of the bulk band structures throughout the transition. The robust surface state and the bulk gap size ($\sim$ 0.50 eV) show no significant change upon doping for $x$ = 0.05, 0.10 and 0.175. At $x$ $\geq$ 0.225, the surface state completely disappears and the bulk gap size increases, suggesting a sudden gap-closure and topological phase transition around $x \sim$ 0.175$-$0.225. We discuss the underlying mechanism of the phase transition, proposing that it is governed by the combined effect of spin-orbit coupling and interactions upon band hybridization. Our study provides a new venue to investigate the mechanism of the topological phase transition induced by non-magnetic impurities.

cond-mat.str-el↗
arXiv2016

Spin wave and spin flip in hexagonal LuMnO3 single crystal

Manipulate and control of spin wave and spin flip are crucial for future developments of magnonic and spintronic devices. We present that the spin wave in hexagonal LuMnO3 single crystal can be selectively excited with laser polarization perpendicular to the c-axis of hexagonal LuMnO3 and photon energy ~ 1.8 eV. The selective excitation of spin wave also suggests that the spin flip can be selectively controlled in hexagonal manganites. In addition, the physical origin of spin wave correlated with spin flip in hexagonal manganites is discussed.

cond-mat.mtrl-sci↗
arXiv2016

Toward the intrinsic limit of topological insulator Bi2Se3

Combining high resolution scanning tunneling microscopy and first principle calculations, we identified the major native defects, in particular the Se vacancies and Se interstitial defects that are responsible for the bulk conduction and nanoscale potential fluctuation in single crystals of archetypal topological insulator Bi2Se3. Here it is established that the defect concentrations in Bi2Se3 are far above the thermodynamic limit, and that the growth kinetics dominate the observed defect concentrations. Furthermore, through careful control of the synthesis, our tunneling spectroscopy suggests that our best samples are approaching the intrinsic limit with the Fermi level inside the band gap without introducing extrinsic dopants.

cond-mat.mtrl-sci↗
arXiv2015

Topological defects as relics of emergent continuous symmetry and Higgs condensation of disorder in ferroelectrics

Lars Onsager and Richard Feynman envisioned that the three-dimensional (3D) superfluid-to-normal $λ$ transition in $^{4}$He occurs through the proliferation of vortices. This process should hold for every phase transition in the same universality class. The role of topological defects in symmetry-breaking phase transitions has become a prime topic in cosmology and high-temperature superconductivity, even though direct imaging of these defects is challenging. Here we show that the U(1) continuous symmetry that emerges at the ferroelectric critical point of multiferroic hexagonal manganites leads to a similar proliferation of vortices. Moreover, the disorder field (vortices) is coupled to an emergent U(1) gauge field, which becomes massive by means of the Higgs mechanism when vortices condense (span the whole system) upon heating above the ferroelectric transition temperature. Direct imaging of the vortex network in hexagonal manganites offers unique experimental access to this dual description of the ferroelectric transition, while enabling tests of the Kibble-Zurek mechanism.

cond-mat.mtrl-sci↗
arXiv2014

Unfolding of vortices into topological stripes in a multiferroic material

Multiferroic hexagonal RMnO3 (R=rare earths) crystals exhibit dense networks of vortex lines at which six domain walls merge. While the domain walls can be readily moved with an applied electric field, the vortex cores were so far impossible to control. Our experiments demonstrate that shear strain induces a Magnus-type force pulling vortices and antivortices in opposite directions and unfolding them into a topological stripe domain state. We discuss the analogy between this effect and the current-driven dynamics of vortices in superconductors and superfluids.

cond-mat.mtrl-sci↗