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Prediction of a monolayer spin-spiral semiconductor:CoO with a honeycomb lattice

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Chinese Physics B 2023年第8期32卷 115-119页

作者：张杰宋姝诺张艳芳张余洋 sokrates t.pantelides 杜世萱 Institute of Physics and University of Chinese Academy of Sciences Chinese Academy of SciencesBeijing 100190China Beijing National Laboratory for Condensed Matter Physics Beijing 100190China Department of Physics and Astronomy and Department of Electrical and Computer Engineering Vanderbilt UniversityNashvilleTennessee 37235USA Songshan Lake Materials Laboratory Dongguan 523808China

the recent successful fabrication of two-dimensional(2D)CoO with nanometer-thickness motivates us to investigate monolayer CoO due to possible magnetic properties induced by Co ***,we employ first-principles calculations to show that monolayer CoO is a 2D spin-spiral semiconductor with a honeycomb *** calculated phonon dispersion reveals the monolayer's dynamical *** CoO exhibits a type-I spin-spiral magnetic ground *** spinspiral state and the direct bandgap character are both robust under biaxial compressive strain(-5%)to tensile strain(5%).the bandgap varies only slightly under either compressive or tensile strain up to 5%.these results suggest a potential for applications in spintronic devices and offer a new platform to explore magnetism in the 2D limit.

关键词： spin-spiral semiconductor type-II multiferroic bandgap engineering monolayer CoO

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Quantum nutcracker for near-room-temperature H_2 dissociation

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Science Bulletin 2019年第1期64卷 4-7页

作者： Lei tao Wei Guo Yu-Yang Zhang Yan-Fang Zhang Jiatao Sun Shixuan Du sokrates t.pantelides Institute of Physics & University of Chinese Academy of Sciences Chinese Academy of Sciences School of Physics Beijing Institute of Technology CAS Center for Excellence in topological Quantum Computation Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science Vanderbilt University

Solid surfaces are well known to mediate the dissociation of molecules via electronic interactions (heterogeneous catalysis).In particular,H2 dissociation on metal surfaces has been widely studied for several decades because it is an important step in hydrogenation *** efficiency of the process depends on both the electronic properties of the metal surface and the surface microstructures [1].Enhanced efficiency and reduced cost are usually achieved by using nanoparticles,which have increased the surface-to-volume ratio and low-coordination atoms [2].Another approach is to optimize the local electronic states of the metal surface by doping [3],alloying with other elements [4],or by taking advantage of strong interactions between metal nanoparticles and the supporting substrate [5].these methods often work together to tailor the adsorption properties on surfaces and show major efficiency enhancement.

关键词： Quantum nutcracker Electron interaction the electronic properties

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Intrinsically patterned corrals in monolayer Ag_(5)Se_(2) and selective molecular co-adsorption

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Nano Research 2022年第7期15卷 6730-6735页

作者： Jianchen Lu Shiru Song Shuai Zhang Yang Song Yun Cao Zhenyu Wang Li Huang Hongliang Lu Yu-Yang Zhang sokrates t.pantelides Shixuan Du Xiao Lin Hong-Jun Gao Institute of Physics&University of Chinese Academy of Sciences Chinese Academy of SciencesBeijing 100190China Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science Vanderbilt UniversityNashvilleTN 37235USA CAS Center for Excellence in topological Quantum Computation Chinese Academy of SciencesBeijing 100190China Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunmingYunnan 650093China

Functionalized two-dimensional(2D)materials play an important role in both fundamental sciences and practical *** construction and precise control of patterns at the atomic-scale are necessary for selective and multiple *** we report the fabrication of monolayer pentasilver diselenide(Ag_(5)Se_(2)),a new type of intrinsically patterned 2D material,by direct selenization of a Ag(111)*** atomic arrangement is determined by a combination of scanning tunneling microscopy(StM),low-energy electron diffraction(LEED),and density-functional-theory(DFt)***-scale StM images exhibit a quasi-periodic pattern of stoichiometric triangular domains with a side length of~15 nm and apical *** boundaries between triangular domains are *** of different molecules on the patterned Ag_(5)Se_(2) exhibits selective adsorption *** molecules preferentially adsorb on the boundaries,while tetracyanoquinodimethane(tCNQ)molecules adsorb both on the boundaries and the triangular *** co-depositing pentacene and tCNQ molecules,we successfully construct molecular corrals with pentacene on the boundaries encircling tCNQ molecules on the triangular *** realization of epitaxial large-scale and high-quality,monolayer Ag_(5)Se_(2) extends the family of intrinsically patterned 2D materials and provides a paradigm for dual functionalization of 2D materials.

关键词： two-dimensional materials dual functionalization scanning tunneling microscope epitaxial growth Ag_(5)Se_(2)monolayer

tuning the morphology of chevron-type graphene nanoribbons by choice of annealing temperature

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Nano Research 2018年第12期11卷 6190-6196页

作者： Yun Cao Jing Qi Yan-Fang Zhang Li Huang Qi Zheng Xiao Lin Zhihai Cheng Yu-Yang Zhang Xinliang Feng Shixuan Du sokrates t.pantelides Hong-Jun Gao Institute of Physics &University of Chinese Academy of Sdences Chinese Academy ofSdencesBeijing 100190China Department of Physics Renmin University of ChinaBeijing 100872China Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science Vanderbilt UniversityNashvilleTennessee 37235USA Center for Advancing Electronics Dresden (cfaed)&Department of Chemistry and Food Chembtry Technische Universitat DresdenD-O 1069DresdenGermany School of Chemistry and Chemical Engineering Shanghai jiao Tong UniversityShanghai200240China

Bottom-up synthesis of graphene nanoribbons (GNRs) by surface-assisted polymerization and cyclodehydrogenation of specifically designed precursor monomers has been shown to yield precise edges and doping. Here we use a precursor monomer containing sulfur atoms to fabricate nanostructures on a Au(111) surface at different annealing temperatures. the nanostructures have distinct configurations, varying from sulfur-doped polymers to sulfur-doped chevron-type GNRs (CGNRs) and, finally, pristine graphene nanoribbons with specific edges of periodic five-member carbon rings. Non-contact atomic force microscopy provides clear evidence for the cleavage of C-S bonds and formation of pristine CGNRs at elevated annealing temperatures. First-principles calculations show that the CGNRs exhibit negative differential resistance.

关键词： chevron-type graphene nanoribbon C-S bond cleavage negative differential resistance scanning tunneling microscopy (StM) noncontact atomic force microscopy (NC-AFM) first-principles calculations

Spatially and spectrally resolved orbital angular momentum interactions in plasmonic vortex generators

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Light(Science & Applications) 2019年第1期8卷 907-915页

作者： Jordan A.Hachtel Sang-Yeon Cho Roderick B.Davidson II Matthew A.Feldman Matthew F.Chisholm Richard F.Haglund Juan Carlos Idrobo sokrates t.pantelides Benjamin J.Lawrie Center for Nanophase Materials Science Oak Ridge National LaboratoryOak RidgeTN 37831USA Klipsch School of Electrical and Computer Engineering New Mexico State UniversityLas CrucesNM 88003USA Department of Physics and Astronomy Vanderbilt UniversityNashvilleTN 37235USA Quantum Information Science Group Oak Ridge National LaboratoryOak RidgeTN 37831USA Materials Science and technology Division Oak Ridge National LaboratoryOak RidgeTN 37831USA Department of Electrical Engineering and Computer Science Vanderbilt University NashvilleNashvilleTN 37235USA Chemistry Division U.S.Naval Research LaboratoryWashingtonD.C.20375USA

Understanding the near-field electromagnetic interactions that produce optical orbital angular momentum(OAM)is crucial for integrating twisted light into ***,we examine the cathodoluminescence(CL)of plasmonic vortices carrying OAM generated in spiral *** nanospiral geometry defines a photonic local density of states that is sampled by the electron probe in a scanning transmission electron microscope(StEM),thus accessing the optical response of the plasmonic vortex with high spatial and spectral *** map the full spectral dispersion of the plasmonic vortex in spiral structures designed to yield increasing topological ***,we fabricate nested nanospirals and demonstrate that OAM from one nanospiral can be coupled to the nested nanospiral,resulting in enhanced luminescence in concentric spirals of like handedness with respect to concentric spirals of opposite *** results illustrate the potential for generating and coupling plasmonic vortices in chiral nanostructures for sensitive detection and manipulation of optical OAM.

关键词： momentum spectral angular

InSe/hBN/graphite heterostructure for high-performance 2D electronics and flexible electronics

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Nano Research 2020年第4期13卷 1127-1132页

作者： Liangmei Wu Jinan Shi Zhang Zhou Jiahao Yan Aiwei Wang Ce Bian Jiajun Ma Ruisong Ma Hongtao Liu Jiancui Chen Yuan Huang Wu Zhou Lihong Bao Min Ouyang sokrates t.pantelides Hong-Jun Gao Institute of Physics Chinese Academy of SciencesP.O.Box 603y Beijing 100190China University of Chinese Academy of Sciences&CAS Center for Excellence in topological Quantum Computation Chinese Academy of SciencesPO Box 603Beijing 100190China Songshan Lake Materials Laboratory Dongguan 523808China Department of Physics University of MarylandMD 20742USA Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science Vanderbilt UniversityNashvilleTennessee 37235USA

two-dimensional(2D)materials as channel materials provide a promising alternative route for future electronics and flexible electronics,but the device performance is affected by the quality of interface between the 2D-material channel and the gate *** we demonstrate an indium selenide(lnSe)/hexagonal boron nitride(hBN)/graphite heterostructure as a 2D field-effect transistor(FEt),with InSe as channel material,hBN as dielectric,and graphite as *** fabricated FEts feature high electron mobility up to 1,146 cm2·V^-1·s^-1 at room temperature and on/off ratio up to 1010 due to the atomically flat gate *** digital inverters based on InSe/hBN/graphite heterostructures are constructed by local gating modulation and an ultrahigh voltage gain up to 93.4 is *** advantages of the mechanical flexibility of these materials,we integrated the heterostructured InSe FEt on a flexible substrate,exhibiting little modification of device performance at a high strain level of up to 2%.Such high-performance heterostructured device configuration based on 2D materials provides a new way for future electronics and flexible electronics.

关键词： InSe van der Waals heterostruture 2D electronics flexible electronics

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什么是材料物理?

世界科学 1993年第5期 15-16页

作者： sokrates t.pantelides 朱鋐雄

“材料”已经成了在讨论我们国家科学和工程重要议事日程时的一个占有突出地位的主题。一些报告指出,美国的竞争地位正在日益明显地随着我们是否有能力发展材料用于改善能量效率,功能和低成本下的可靠性而发生转移。本专栏将论及某些有... 详细信息

“材料”已经成了在讨论我们国家科学和工程重要议事日程时的一个占有突出地位的主题。一些报告指出,美国的竞争地位正在日益明显地随着我们是否有能力发展材料用于改善能量效率,功能和低成本下的可靠性而发生转移。本专栏将论及某些有关的问题:什么是材料物理?在“材料革命”中物理学团体是不是正在起着一种合适的作用;对下一个10年,物理学团体的重要议题将是什么?我将给出我的展望,它们是在多年的物理学研究和管理中形成的。

关键词：物理学会美国美利坚合众国北美洲材料物理原子尺度

Kondo Effect of Cobalt Adatoms on a Graphene Monolayer Controlled by Substrate-Induced Ripples

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Kondo Effect of Cobalt Adatoms on a Graphene Monolayer Contr...

Combining electron microscopy with atomic-scale calculations-A personal perspective

中国真空学会2014学术年会

作者： Jindong Ren Haiming Guo Jinbo Pan Yu Yang Zhang Xu Wu Hong-Gang Luo Shixuan Du sokrates t.pantelides Hong-Jun Gao Institute of Physics Chinese Academy of Sciences Department of Physics and Astronomy Vanderbilt University Materials Science and technology Division Oak Ridge National Laboratory Center for Interdisciplinary Studies and Key Laboratory for Magnetism and Magnetic Materials of the MoE Lanzhou University Beijing Computational Science Research Center

the Kondo effect,a widely studied phenomenon in which the scattering of conduction electronsby magnetic impurities increases as the temperature t is lowered,depends strongly on the density of states at the Fermi *** has been predicted by theory that magnetic impurities on free-standing monolayer graphene exhibit the Kondo effect and that control of the density of states at the Fermi level by external means can be used to switch the effect on and ***,though transport data for Co adatoms on graphene monolayers on several substrates have been reported,there exists no evidence for a Kondo *** we probe the role of the substrate on the Kondo effect of Co on graphene by combining low-temperature scanning tunneling microscopy and spectroscopy measurements with density-functional-theory *** use a Ru(0001)substrate which is known to cause graphene to ripple,yielding a moire *** experimental data show a sharp Kondo resonance peak near the Fermi energy from only Co adatoms at the edge of atop regions of the moire"*** theoretical results show that the variation of the distance from the graphene to the Ru substrate,which controls the spin polarization and local density of states at the Fermi energy,is the key factor for the appearance of the Kondo *** results suggest that rippling of graphene by suitable substrates is an additional lever for tuning and selectively switching the appearance of the Kondo effect.

关键词： Kondo effect StM graphene magnetic impurity surface adsorption

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CHINESE PHYSICS B 2024年第12期33卷 120704-120704页

作者： pantelides, sokrates t. Vanderbilt Univ Dept Phys & Astron Nashville TN 37235 USA Vanderbilt Univ Dept Elect & Comp Engn Nashville TN 37235 USA

I had the privilege and the pleasure to work closely with Stephen J. Pennycook for about twenty years, having a group of post-docs and Vanderbilt-University graduate students embedded in his electron microscopy group at Oak Ridge National Laboratory, spending on average a day per week there. We combined atomic-resolution imaging of materials, electron-energy-loss spectroscopy, and density-functional-theory calculations to explore and elucidate diverse materials phenomena, often resolving long-standing issues. this paper is a personal perspective of that journey, highlighting a few examples to illustrate the power of combining theory and microscopy and closing with an assessment of future prospects.

关键词： electron microscopy EELS density-functional-theory calculations 07.78.+s 61.72.Bb 61.46.Hk