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The exceptional electronic, optical and chemical properties of two-dimensional materials strongly depend on the 3D atomic structure and crystal defects. Using Re-doped MoS2 as a model, here we develop scanning atomic electron tomography…

In single unit-cell FeSe grown on SrTiO3, the superconductivity transition temperature features a significant enhancement. Local phonon modes at the interface associated with electron-phonon coupling may play an important role in the…

The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…

Materials Science · Physics 2022-01-05 Ruishi Qi , Ruochen Shi , Yuanwei Sun , Yuehui Li , Mei Wu , Ning Li , Jinlong Du , Kaihui Liu , Chunlin Chen , Dapeng Yu , En-Ge Wang , Peng Gao

The atomic structure at the interface between two-dimensional (2D) and three-dimensional (3D) materials influences properties such as contact resistance, photo-response, and high-frequency electrical performance. Moir\'e engineering is yet…

Atom specific valence electronic structures at interface are elucidated successfully using soft x-ray absorption and emission spectroscopy. In order to demonstrate the versatility of this method, we investigated SiO2/Si interface as a…

Defects and reconstructions in 2D moir\'e materials cause out-of-plane deformations which strongly modify their electronic properties but are difficult to experimentally access. Here, we solve the 3D atomic coordinates of twisted bilayer…

Materials Science · Physics 2025-09-10 Jeffrey Huang , Yichao Zhang , Sang hyun Bae , Ballal Ahammed , Elif Ertekin , Pinshane Y. Huang

Two-dimensional (2D) heterostructures reveal novel physicochemical phenomena at different length scales, that are highly desirable for technological applications. We present a comprehensive density functional theory study of van der Waals…

Materials Science · Physics 2024-10-21 Kati Asikainen , Matti Alatalo , Marko Huttula , S. Assa Aravindh

Contact interface properties are important in determining the performances of devices based on atomically thin two-dimensional (2D) materials, especially those with short channels. Understanding the contact interface is therefore quite…

Materials Science · Physics 2020-05-01 Bo Han , Chen Yang , Xiaolong Xu , Yuehui Li , Ruochen Shi , Kaihui Liu , Haicheng Wang , Yu Ye , Jing Lu , Dapeng Yu , Peng Gao

Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering…

Metal-oxide interfaces with poor coherency have unique properties comparing to the bulk materials and offer broad applications in the fields of heterogeneous catalysis, battery, and electronics. However, current understanding of the…

Materials Science · Physics 2024-03-01 Yao Zhang , Zezhou Li , Xing Tong , Zhiheng Xie , Siwei Huang , Yue-E Zhang , Hai-Bo Ke , Wei-Hua Wang , Jihan Zhou

The structure and dynamical properties of the Fe$_3$Si/GaAs(001) interface are investigated by density functional theory and nuclear inelastic scattering measurements. The stability of four different atomic configurations of the…

Natural materials usually consist of isotopic mixtures, for which different isotopic ratios can lead to distinct material properties such as thermal conductivity and nucleation process. However, the knowledge of isotopic interface remains…

Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…

Materials Science · Physics 2014-02-10 Santosh KC , Roberto C. Longo , Robert M. Wallace , Kyeongjae Cho

While phonons and their related properties have been studied comprehensively in bulk materials, a thorough understanding of surface phonons for nanoscale objects remains elusive. Infra-red imaging methods with photons or electrons exist,…

Instrumentation and Detectors · Physics 2021-04-21 Xiaoyan Li , Georg Haberfehlner , Ulrich Hohenester , Odile Stéphan , Gerald Kothleitner , Mathieu Kociak

Nanomaterials with core-shell architectures are prominent examples of strain-engineered materials, where material properties can be designed by fine-tuning the misfit strain at the interface. Here, we elucidate the full 3D atomic structure…

Nanoscale defects such as dislocations, have a significant impact on the phonon thermal transport properties in non-metallic materials. To unravel these effects, understanding of defect phonon modes is essential. Herein, at the atomic…

As the length-scales of materials decrease, heterogeneities associated with interfaces approach the importance of the surrounding materials. Emergent electronic and magnetic interface properties in superlattices have been studied…

Defects in oxides usually exhibit exotic properties that may be associated with the local lattice dynamics. Here, at atomic spatial resolution, we directly measure phonon modes of an antiphase boundary (APB) in SrTiO3 freestanding membrane…

Materials Science · Physics 2022-03-04 Bo Han , Ruochen Shi , Huining Peng , Yingjie Lv , Ruishi Qi , Yuehui Li , Jingmin Zhang , Jinlong Du , Pu Yu , Peng Gao

The advent of monochromated electron energy-loss spectroscopy has enabled atomic-resolution vibrational spectroscopy, which triggered interest in spatially localized or quasi-localized vibrational modes in materials. Here we report the…

Materials Science · Physics 2023-10-13 De-Liang Bao , Mingquan Xu , Ao-Wen Li , Gang Su , Wu Zhou , Sokrates T. Pantelides

Recently, massive efforts have been done on controlling thermal transport via coherent phonons in the various periodic nanostructures. However, the intrinsic lattice difference between the constituent materials inevitably generates the…

Mesoscale and Nanoscale Physics · Physics 2021-06-03 Meng An , Dongsheng Chen , Weigang Ma , Shiqian Hu , Xing Zhang
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