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Multiferroic properties of oxygen functionalized magnetic i-MXene

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 Added by Shuai Dong
 Publication date 2021
  fields Physics
and research's language is English




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Two dimensional multiferroics inherit prominent physical properties from both low dimensional materials and magnetoelectric materials, and can go beyond their three dimensional counterparts for their unique structures. Here, based on density functional theory calculations, a MXene derivative, i.e., i-MXene (Ta$_{2/3}$Fe$_{1/3}$)$_2$CO$_2$, is predicted to be a type-I multiferroic material. Originated from the reliable $5d^0$ rule, its ferroelectricity is robust, with a moderate polarization up to $sim12.33$ $mu$C/cm$^2$ along the a-axis, which can be easily switched and may persist above room temperature. Its magnetic ground state is layered antiferromagnetism. Although it is a type-I multiferroic material, its Neel temperature can be significantly tuned by the paraelectric-ferroelectric transition, manifesting a kind of intrinsic magnetoelectric coupling. Such magnetoelectric effect is originated from the conventional magnetostriction, but unexpectedly magnified by the exchange frustration. Our work not only reveals a nontrivial magnetoelectric mechanism, but also provides a strategy to search for more multiferroics in the two dimensional limit.



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Achieving multiferroic two-dimensional (2D) materials should enable numerous functionalities in nanoscale devices. Until now, however, predicted 2D multiferroics are very few and with coexisting yet only loosely coupled (type-I) ferroelectricity and magnetism. Here, a type-II multiferroic MXene Hf$_{2}$VC$_{2}$F$_{2}$ monolayer is identified, where ferroelectricity originates directly from its magnetism. The noncollinear Y-type spin order generates a polarization perpendicular to the spin helical plane. Remarkably, the multiferroic transition is estimated to occur above room temperature. Our investigation should open the door to a new branch of 2D materials for pursuit of intrinsically strong magnetoelectricity.
Two-dimensional (2D) topological insulator (TI) have been recognized as a new class of quantum state of matter. They are distinguished from normal 2D insulators with their nontrivial band-structure topology identified by the $Z_2$ number as protected by time-reversal symmetry (TRS). 2D TIs have intriguing spin-velocity locked conducting edge states and insulating properties in the bulk. In the edge states, the electrons with opposite spins propagate in opposite directions and the backscattering is fully prohibited when the TRS is conserved. This leads to quantized dissipationless two-lane highway for charge and spin transportation and promises potential applications. Up to now, only very few 2D systems have been discovered to possess this property. The lack of suitable material obstructs the further study and application. Here, by using first-principles calculations, we propose that the functionalized MXene with oxygen, M$_2$CO$_2$ (M=W, Mo and Cr), are 2D TIs with the largest gap of 0.194 eV in W case. They are dynamically stable and natively antioxidant. Most importantly, they are very likely to be easily synthesized by recent developed selective chemical etching of transition-metal carbides (MAX phase). This will pave the way to tremendous applications of 2D TIs, such as ideal conducting wire, multifunctional spintronic device, and the realization of topological superconductivity and Majorana modes for quantum computing.
Multiferroics are those materials with more than one ferroic order, and magnetoelectricity refers to the mutual coupling between magnetism and electricity. The discipline of multiferroicity has never been so highly active as that in the first decade of the twenty-first century, and it has become one of the hottest disciplines of condensed matter physics and materials science. A series of milestones and steady progress in the past decade have enabled our understanding of multiferroic physics substantially comprehensive and profound, which is further pushing forward the research frontier of this exciting area. The availability of more multiferroic materials and improved magnetoelectric performance are approaching to make the applications within reach. While seminal review articles covering the major progress before 2010 are available, an updated review addressing the new achievements since that time becomes imperative. In this review, following a concise outline of the basic knowledge of multiferroicity and magnetoelectricity, we summarize the important research activities on multiferroics, especially magnetoelectricity and related physics in the last six years. We consider not only single-phase multiferroics but also multiferroic heterostructures. We address the physical mechanisms regarding magnetoelectric coupling so that the backbone of this divergent discipline can be highlighted. A series of issues on lattice symmetry, magnetic ordering, ferroelectricity generation, electromagnon excitations, multiferroic domain structure and domain wall dynamics, and interfacial coupling in multiferroic heterostructures, will be revisited in an updated framework of physics. In addition, several emergent phenomena and related physics, including magnetic skyrmions and generic topological structures associated with magnetoelectricity will be discussed.
Spin-orbit torques due to interfacial Rashba and spin Hall effects have been widely considered as a potentially more efficient approach than the conventional spin-transfer torque to control the magnetization of ferromagnets. We report a comprehensive study of spin-orbit torque efficiency in Ta(O)/Ni81Fe19 bilayers by tuning low-oxidation of b{eta}-phase tantalum, and find that the spin Hall angle {theta}DL increases from ~ -0.18 of the pure Ta/Py to the maximum value ~ -0.30 of Ta(O)/Py with 7.8% oxidation. Furthermore, we distinguish the efficiency of the spin-orbit torque generated by the bulk spin Hall effect and by interfacial Rashba effect, respectively, via a series of Py/Cu(0-2 nm)/Ta(O) control experiments. The latter has more than twofold enhancement, and even more significant than that of the former at the optimum oxidation level. Our results indicate that 65% enhancement of the efficiency should be related to the modulation of the interfacial Rashba-like spin-orbit torque due to oxygen-induced orbital hybridization cross the interface. Our results suggest that the modulation of interfacial coupling via oxygen-induced orbital hybridization can be an alternative method to boost the change-spin conversion rate.
The graphene-enhanced Raman scattering of Rhodamine 6G molecules on pristine, fluorinated and 4-nitrophenyl functionalized graphene substrates was studied. The uniformity of the Raman signal enhancement was studied by making large Raman maps. The relative enhancement of the Raman signal is demonstrated to be dependent on the functional groups, which was rationalized by the different doping levels of pristine, fluorinated and 4-nitrophenyl functionalized graphene substrates. The impact of the Fermi energy of graphene and the phonon energy of the molecules was considered together for the first time in order to explain the enhancement. Such approach enables to understand the enhancement without assuming anything about the uniformity of the molecules on the graphene surface. The agreement between the theory and our measured data was further demonstrated by varying excitation energy.
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