Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co3Sn2S

Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co3Sn2S

Nature Communications 14, 5230 (2023)

Li Huang#, Xianghua Kong#, Qi Zheng#, Yuqing Xing#, Hui Chen, Yan Li, Zhixin Hu, Shiyu Zhu, Jingsi Qiao, Yu-Yang Zhang, Haixia Cheng, Zhihai Cheng, Xianggang Qiu, Enke Liu, Hechang Lei, Xiao Lin, Ziqiang Wang, Haitao Yang*, Wei Ji*, Hong-Jun Gao*

Kagome-lattice materials possess attractive properties for quantum computing applications, but their synthesis remains challenging. Herein, based on the compelling identification of the two cleavable surfaces of Co3Sn2S2, we show surface kagome electronic states (SKESs) on a Sn-terminated triangular Co3Sn2S2 surface. Such SKESs are imprinted by vertical p-d electronic hybridization between the surface Sn (subsurface S) atoms and the buried Co kagome-lattice network in the Co3Sn layer under the surface. Owing to the subsequent lateral hybridization of the Sn and S atoms in a corner-sharing manner, the kagome symmetry and topological electronic properties of the Co3Sn layer is proximate to the Sn surface. The SKESs and both hybridizations were verified via qPlus non-contact atomic force microscopy (nc-AFM) and density functional theory calculations. The construction of SKESs with tunable properties can be achieved by the atomic substitution of surface Sn (subsurface S) with other group III-V elements (Se or Te), which was demonstrated theoretically. This work exhibits the powerful capacity of nc-AFM in characterizing localized topological states and reveals the strategy for synthesis of large-area transition-metal-based kagome-lattice materials using conventional surface deposition techniques.

Achieving a Large Energy Gap in Bi(110) Atomically Thin Films

Achieving a Large Energy Gap in Bi(110) Atomically Thin Films

Small Structures 4, 2300207 (2023).

Qing Yuan#, Yafei Li#, Deping Guo, Cancan Lou, Xingxia Cui, Guangqiang Mei, Chengxiang Jiao, Kai Huang, Xuefeng Hou, Wei Ji*, Limin Cao*, Min Feng*

Abstract:

Metal–insulator transition has long been one of the key subjects in condensed matter systems. Herein, the emergence of a large energy gap (Eg, 0.8–1.0 eV) in Bi(110) two-atomic-layer nanoribbons grown on a SnSe(001) substrate is reported, which normally has an intrinsic semimetal-like characteristic. The existence of this abnormally large Eg in Bi(110) is, however, determined by Bi coverage. When coverage is above ≈64 ± 2%, Eg vanishes, and instead, a Bi(110) semimetal-like phase appears through a singular insulator–metal transition. Measurements using qPlus atomic force microscopy demonstrate that either insulating or semimetal-like Bi(110) possesses a distorted black phosphorous structure with noticeable atomic buckling. Density function theory fully reproduces the semimetal-like Bi(110) on SnSe(001). However, none of the insulating phases with this large Eg could be traced. Although the underlying mechanism of the large Eg and the insulator-metal transition requires further exploration, experiments demonstrate that similar results can be achieved for Bi grown on SnS, the structural analog of SnSe, exhibiting an even larger Eg of ≈2.3 eV. The experimental strategy may be generalized to utilization of group-IV monochalcogenides to create Bi(110) nanostructures with properties unachievable on other surfaces, providing an intriguing platform for exploring the interesting quantum electronic phases.

DOI: 10.1002/sstr.202300207

Layer Sliding And Twisting Induced Electronic Transitions In Correlated Magnetic 1t-Nbse2 Bilayers

Layer Sliding And Twisting Induced Electronic Transitions In Correlated Magnetic 1t-Nbse2 Bilayers

Advanced Functional Materials 33, 2302989 (2023)

Jiaqi Dai#, Jingsi Qiao#, Cong Wang, Linwei Zhou, Xu Wu, Liwei Liu, Xuan Song, Fei Pang, Zhihai Cheng, Xianghua Kong, Yeliang Wang*, Wei Ji*

Abstract:

Correlated 2D layers, like 1T-phases of TaS2, TaSe2, and NbSe2, exhibit rich tunability through varying interlayer couplings, which promotes the understanding of electron correlation in the 2D limit. However, the coupling mechanism is, so far, poorly understood and is tentatively ascribed to interactions among the dz2 orbitals of Ta or Nb atoms. Here, it is theoretically shown that the interlayer hybridization and localization strength of interfacial Se pz orbitals, rather than Nb dz2 orbitals, govern the variation of electron-correlated properties upon interlayer sliding or twisting in correlated magnetic 1T-NbSe2 bilayers. Each of the layers is in a star-of-David (SOD) charge-density-wave phase. Geometric and electronic structures and magnetic properties of 28 different stacking configurations are examined and analyzed using density-functional-theory calculations. It is found that the SOD contains a localized region, in which interlayer Se pz hybridization plays a paramount role in varying the energy levels of the two Hubbard bands. These variations lead to three electronic transitions among four insulating states, which demonstrate the effectiveness of interlayer interactions to modulate correlated magnetic properties in a prototypical correlated magnetic insulator.

DOI: 10.1002/adfm.202302989

Robust Weak Antilocalization Effect Up to ∼120 K in the van der Waals Crystal Fe5–xGeTe2 with Near-Room-Temperature Ferromagnetism

J. Phys. Chem. Lett. 14, 5456–5465 (2023)

Zhengxian Li, Deping Guo, Kui Huang, Guodong Ma, Xiaolei Liu, Yueshen Wu, Jian Yuan, Zicheng Tao, Binbin Wang, Xia Wang, Zhiqiang Zou, Na Yu, Geliang Yu, Jiamin Xue, Zhongkai Liu, Wei Ji, Jun Li, and Yanfeng Guo

The van der Waals Fe5–xGeTe2 is a 3d ferromagnetic metal with a high Curie temperature of 275 K. We report herein the observation of an exceptional weak antilocalization (WAL) effect that can persist up to 120 K in an Fe5–xGeTe2 nanoflake, indicating the dual nature with both itinerant and localized magnetism of 3d electrons. The WAL behavior is characterized by the magnetoconductance peak around zero magnetic field and is supported by the calculated localized nondispersive flat band around the Fermi level. The peak to dip crossover starting around 60 K in magnetoconductance is visible, which could be ascribed to temperature-induced changes in Fe magnetic moments and the coupled electronic band structure as revealed by angle-resolved photoemission spectroscopy and first-principles calculations. Our findings would be instructive for understanding the magnetic exchanges in transition metal magnets as well as for the design of next-generation room-temperature spintronic devices.

Fe-Intercalation Dominated Ferromagnetism of van der Waals Fe3GeTe2

Fe-Intercalation Dominated Ferromagnetism of van der Waals Fe3GeTe2

Advanced Materials 35, 2302568 (2023)

Yueshen Wu, Yuxiong Hu, Cong Wang, Xiang Zhou, Xiaofei Hou, Wei Xia, Yiwen Zhang, Jinghui Wang, Yifan Ding, Jiadian He, Peng Dong, Song Bao, Jinsheng Wen, Yanfeng Guo, Kenji Watanabe, Takashi Taniguchi, Wei Ji, Zhu-Jun Wang, Jun Li

Fe3GeTe2 have proven to be of greatly intrigue. However, the underlying mechanism behind the varying Curie temperature (Tc) values remains a puzzle. Here, we explored the atomic structure of Fe3GeTe2 crystals exhibiting Tc values of 160, 210, and 230 K. The elemental mapping reveals a Fe-intercalation on the interstitial sites within the van der Waals gap of the high- Tc (210 and 230 K) samples, which are observed an exchange bias effect by electrical transport measurements, while Fe intercalation or the bias effect is absent in the low-Tc (160 K) samples. First-principles calculations further suggest that the Fe-intercalation layer may be responsible for the local antiferromagnetic coupling that gives rise to the exchange bias effect, and that the interlayer exchange paths greatly contributes to the enhancement of Tc. This discovery of the Fe-intercalation layer elucidates the mechanism behind the hidden antiferromagnetic ordering that underlies the enhancement of Tc in Fe3GeTe2.

DOI: 10.1002/adma.202302568