1 Multiple Topological Magnetism in van der Waals Heterostructure of MnTe 2ZrS 2 Zhonglin He Kaiying Dou Wenhui Du Ying Dai Baibiao Huang Yandong Ma

2025-04-27 0 0 656.39KB 14 页 10玖币
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1
Multiple Topological Magnetism in van der Waals Heterostructure of MnTe2/ZrS2
Zhonglin He, Kaiying Dou, Wenhui Du, Ying Dai*, Baibiao Huang, Yandong Ma*
School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Shandanan Street
27, Jinan 250100, China
*Corresponding authors: daiy60@sdu.edu.cn (Y.D.); yandong.ma@sdu.edu.cn (Y.M.)
Abstract
Topological magnetism in low-dimensional systems is of fundamental and practical importance in
condensed-matter physics and material science. Here, using first-principles and Monte-Carlo
simulations, we present that multiple topological magnetism (i.e., skyrmion and bimeron) can survive
in van der Waals Heterostructure of MnTe2/ZrS2. Arising from interlayer coupling, MnTe2/ZrS2 can
harbor a large Dzyaloshinskii-Moriya interaction. This, combined with ferromagnetic exchange
interaction, yields an intriguing skyrmion phase consisting of sub-10 nm magnetic skyrmions under
a tiny magnetic field of ~ 75 mT. Meanwhile, upon harnessing a small electric field, magnetic bimeron
can be observed in MnTe2/ZrS2 as well, suggesting the existence of multiple topological magnetism.
Through interlayer sliding, both topological spin textures can be switched on-off, suggesting their
stacking-dependent character. In addition, the impacts of 𝑑 and Keff on these spin textures are
revealed, and a dimensionless parameter
is utilized to describe their joint effect. These explored
phenomena and insights not only are useful for fundamental research in topological magnetism, but
also enable novel applications in nanodevices.
Keywords: skyrmion, bimeron, first-principles, Dzyalohinskii-Moriya interaction, heterostructure
2
Introduction
Since the first experimental observations of skyrmion lattice in bulk MnSi [1] and Fe0.5Co0.5Si thin
films [2], magnetic skyrmion, a typical topological magnetism, has been a prominent topic of
condensed matter physics [3,4]. It is a spatially localized topological spin structure that is
homotopically equivalent to a unit sphere, and characterized by quantized topological charge Q = ±1
[5]. Such non-trivial topological nature ensures an exceptional stability in terms of transition into
trivial spin textures [e.g., ferromagnetic (FM) phase], making it technologically appealing for future
memory and computing devices [6-8]. In addition to the study of magnetic skyrmions in
perpendicularly magnetized systems, there has also been much effort in searching for new forms of
topological magnetism in in-plane magnetized systems. One promising example is magnetic bimeron,
which consists of a pair of merons and is of great interest recently because of its extraordinary
properties [9,10]. In principle, magnetic bimeron is related to magnetic skyrmion with a /2-rotation
of each spin around in-plane axis [11]. As the topological charge Q is invariant under such rotation
[5], magnetic bimeron exhibits topological nature and inherent stability as well [10].
The demand for device miniaturization in modern electronics stimulates the exploration of
topological magnetism in two-dimensional (2D) materials [12,13]. The essential ingredient for the
realization of topological magnetism is the Dzyaloshinskii-Moriya interaction (DMI) that exists under
broken inversion symmetry and strong spin-orbit coupling (SOC). DMI is a form of antisymmetric
exchange interaction, establishing a preferred chirality for spin textures [14-16]. In the past years, for
realizing large DMI in 2D systems, extensive efforts have been devoted to Janus and ferroelectric
structures [17,18]. While the former requires harsh conditions to realize in experiment [19,20], the
latter severely limits the materials choices [21]. As a result, only a few 2D candidate systems have
been proposed so far [16,18,22-25]. New and general mechanism for topological magnetism
formation is highly desired for its exploration in the emerging area of 2D magnets. We also note that
DMI can be induced in 2D van der Waals heterostructure (vdWH) [12], and superior to Janus and
ferroelectric systems, vdWH systems exhibit higher experimental feasibility and tunability, providing
an ideal platform for topological magnetism research. Nonetheless, the formation of topological
magnetism in 2D vdWH is rarely reported [26,27], as the DMI is usually too weak to stabilize
topological spin textures.
Here, through first-principles calculations and Monte-Carlo (MC) simulations, we propose the
existence of multiple topological magnetism (i.e., skyrmion and bimeron) in 2D MnTe2/ZrS2 vdWH.
Due to the strong interlayer interplay, MnTe2/ZrS2 possesses a large DMI. This, along with FM
exchange interaction, results in the isolated zero-field magnetic skyrmion intrinsically in MnTe2/ZrS2.
3
When applying a tiny magnetic field of ~ 75 mT, intriguing skyrmion phase consisting of sub-10 nm
magnetic skyrmions occurs. On the other hand, by harnessing a small electric field, magnetic bimeron
can be observed. This confirms the existence of long-sought multiple topological magnetism in
MnTe2/ZrS2. Furthermore, under interlayer sliding, both topological spin textures can be switched off,
which suggests their stacking-dependent nature. Additionally, the roles of 𝑑 and Keff in the
formation of these spin textures are unveiled, and a dimensionless parameter
is utilized to
characterize their joint effect. Our results greatly enrich the research of 2D topological magnetism.
Results and Discussion
Fig. 1. (a) Top and side views of the crystal structure of MnTe2/ZrS2. The dashed diamond indicates
the unit cell of MnTe2/ZrS2. (b) Distorted octahedral geometry of Mn atom. , and 3 represent
the M-, I- and C3- symmetry, respectively. (c) DMI vectors (red arrows) between the nearest-
neighboring Mn atoms. (d) Two spin-spiral configurations of CW and ACW employed to obtain DMI
parameters and atomic-layer-resolved localization of the DMI associated SOC energy E for
MnTe2/ZrS2.
MnTe2/ZrS2 vdWH is composed of two layers of MnTe2 and ZrS2, which are known as FM metal and
nonmagnetic semiconductor, respectively. These two constituent layers both belong to the 1T
octahedral family of 2D transition metal dichalcogenides with space group P3
̅m1 (No. 164), thus
exhibiting an inversion symmetry (I-symmetry). Obviously, when stacking these two layers together,
I-symmetry is broken. Here, we consider three typical stacking patterns of MnTe2/ZrS2 [see Fig. S1],
among which the AA stacking pattern shown in Fig. 1(a) is proved to be the most stable configuration.
In the following, we only discuss the AA stacking pattern of MnTe2/ZrS2. MnTe2/ZrS2 exhibits a
distorted octahedral geometry (l1 l2) for Mn atoms, resulting in the space group P3m1 (No. 156). To
摘要:

1MultipleTopologicalMagnetisminvanderWaalsHeterostructureofMnTe2/ZrS2ZhonglinHe,KaiyingDou,WenhuiDu,YingDai*,BaibiaoHuang,YandongMa*SchoolofPhysics,StateKeyLaboratoryofCrystalMaterials,ShandongUniversity,ShandananStreet27,Jinan250100,China*Correspondingauthors:daiy60@sdu.edu.cn(Y.D.);yandong.ma@sdu....

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