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Prediction of s±-Wave Superconductivity Enhanced by Electronic Doping in Trilayer Nickelates La4Ni3O10 under Pressure

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Physical Review Letters 2024年第13期133卷 136001页

作者： Yang Zhang Ling-Fang Lin Adriana Moreo Thomas A. Maier Elbio Dagotto Department of Physics and Astronomy Materials Science and Technology Division Computational Sciences and Engineering Division

Motivated by the recently reported signatures of superconductivity in trilayer La4Ni3O10 under pressure, we comprehensively study this system using ab initio and random-phase approximation techniques. Without electronic interactions, the Ni d3z2−r2 orbitals show a bonding-antibonding and nonbonding splitting behavior via the O pz orbitals inducing a “trimer” lattice in La4Ni3O10, analogous to the dimers of La3Ni2O7. The Fermi surface consists of three electron sheets with mixed eg orbitals, and a hole and an electron pocket made up of the d3z2−r2 orbital, suggesting a Ni two-orbital minimum model. In addition, we find that superconducting pairing is induced in the s±-wave channel due to partial nesting between the M=(π,π) centered pockets and portions of the Fermi surface centered at the Γ=(0,0) point. With changing electronic density n, the s± instability remains leading and its pairing strength shows a domelike behavior with a maximum around n=4.2 (∼6.7% electron doping). The superconducting instability disappears at the same electronic density as that in the new 1313 stacking La3Ni2O7, correlated with the vanishing of the hole pocket that arises from the trilayer sublattice, suggesting that the high-Tc superconductivity of La3Ni2O7 does not originate from a trilayer and monolayer structure. Furthermore, we confirm the experimentally proposed spin state in La4Ni3O10 with an in-plane (π, π) order and antiferromagnetic coupling between the top and bottom Ni layers, and spin zero in the middle layer.

关键词： Multiband superconductivity Pairing mechanisms Superconductivity s-wave High-temperature superconductors Nickelates Strongly correlated systems Unconventional superconductors First-principles calculations Hubbard model Random phase approximation Wannier function methods

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Machine learning electron-phonon interactions in two-dimensional semiconducting materials: The case of zero-point renormalization

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Physical Review materials 2024年第10期8卷 L101001页

作者： Anubhab Haldar Quentin Clark Marios Zacharias Feliciano Giustino Sahar Sharifzadeh Department of Electrical and Computer Engineering Department of Philosophy Oden Institute for Computational Engineering and Sciences Department of Physics Division of Materials Science and Engineering

We utilize first-principles theory to investigate the role of electron-phonon interactions within a dataset of monolayer materials. Using density functional theory to describe excited-state transitions and the special displacement method to describe the role of phonons, we analyze the relationship between simple physical observables and electron-phonon coupling strength. For over 100 materials, we compute the band gap renormalization due to zero-point vibrational (ZPR) motion as a measure of electron-phonon interactions and train a machine learning model based on physical parameters. We demonstrate that the strength of electron-phonon interactions is highly dependent on the band gap, dielectric constant, and degree of ionicity, all of which can be physically justified. We then apply this model to 1302 2D materials, predicting the ZPR, which for five randomly selected materials tested agree well with the first-principles predictions. This work provides an approach for quantitatively predicting the ZPR as a measure of electron-phonon interactions in 2D materials.

关键词： Electron-phonon coupling Electronic structure 2-dimensional systems Machine learning

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Effects of Extreme Ultraviolet Radiation on Transition Metal Dichalcogenides: Investigation of Physical and Electrical Properties

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ACS Applied Electronic materials 2024年第8期6卷 5640-5650页

作者： Kao, Man-Yun Hsu, Che-Hao Huang, Yu-Qi Hsu, Yu-Chieh Liu, Ming-Jin Chen, Chieh-Ting Lai, Po-Chien Lu, Ming-Yen Wu, Pin-Jiun Chueh, Yu-Lun Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Colleage of Semiconductor Research National Tsing-Hua University Hsinchu30013 Taiwan Department of Physics National Sun Yat-Sen University Kaohsiung80424 Taiwan National Synchrotron Radiation Research Center Hsinchu300092 Taiwan Department of Materials Science and Engineering Korea University Seoul02841 Korea Republic of Center for Nanotechnology Center for Materials Science Center for Microsystem National Tsing-Hua University Hsinchu30013 Taiwan

Transition metal dichalcogenides (TMDCs) have gained a lot of attention due to their versatile applications in electronic and sensing devices. Furthermore, TMDCs are the candidates to replace Si in the semiconductor industry. However, little research has focused on TMDCs under extreme ultraviolet (EUV) radiation, which will be the mainstream lithography technique in semiconductor processes. Here, three types of representative TMDC materials, MoS2, WS2, and PtSe2 films, were subjected to synchrotron-radiation-generated EUV light. Raman spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy were used to analyze the elemental concentrations and bonding environment in the materials before and after EUV irradiation. The results showed that chalcogenide vacancies in the two-dimensional (2D) TMDCs were the dominant irradiation defects. Defects were present at all the set EUV doses, and the defect content affected the resistance of the material. This study demonstrated the defects in 2D TMDCs caused by EUV irradiation and showed the potential of EUV radiation modulating the defects and the properties of materials. © 2024 The Authors. Published by American Chemical Society.

关键词： Irradiation

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Surface-dominated conductance scaling in Weyl semimetal NbAs

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npj Computational materials 2024年第1期10卷 2370-2378页

作者： Sushant Kumar Yi-Hsin Tu Sheng Luo Nicholas A.Lanzillo Tay-Rong Chang Gengchiau Liang Ravishankar Sundararaman Hsin Lin Ching-Tzu Chen Department of Materials Science&Engineering Rensselaer Polytechnic Institute1108th StTroyNY 12180USA IBM Thomas J.Watson Research Center 1101 Kitchawan RoadYorktown HeightsNY 10598USA Department of Physics Cheng Kung UniversityTainan CityTaipei Department of Electrical and Computer Engineering College of Design and EngineeringNational University of SingaporeSingaporeSingapore IBM Research 257 Fuller RoadAlbanyNY 12203USA Institute of Physics Academia SinicaTaipeiTaipei

Protected surface states arising fromnon-trivial bandstructure topology in semimetals can potentially enable advanced device functionalities in compute,memory,interconnect,sensing,and *** necessitates a fundamental understanding of surface-state transport in nanoscale topological ***,we investigate quantum transport in a prototypical topological semimetal NbAs to evaluate the potential of this class of materials for beyond-Cu interconnects in highly-scaled integrated *** density functional theory(DFT)coupled with non-equilibrium Green’s function(NEGF)calculations,we show that the resistance-areaRAproduct in NbAs films decreases with decreasing thickness at the nanometer scale,in contrast to a nearly constant RA product in ideal Cu *** anomalous scaling originates from the disproportionately large number of surface conduction states which dominate the ballistic conductance by up to 70%in NbAs thin *** also show that this favorable RA scaling persists even in the presence of surface defects,in contrast to RA sharply increasing with reducing thickness for films of conventional metals,such as Cu,in the presence of surface *** results underscore the potential of topological semimetals as future back-end-of-line(BEOL)interconnect metals.

关键词： scaling topological conductance

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Coaxial boron nitride nanotubes as interfacial dielectric layers to lower interface trap density in carbon nanotube transistors

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Nano Research 2023年第11期16卷 12840-12848页

作者： Keigo Otsuka Taiki Sugihara Taiki Inoue Weijie Jia Satoru Matsushita Takanobu Saito Minhyeok Lee Takashi Taniguchi Kenji Watanabe Gregory Pitner Ming-Yang Li Tzu-Ang Chao Rong Xiang Shohei Chiashi Shigeo Maruyama Department of Mechanical Engineering The University of TokyoTokyo 113-8656Japan Department of Applied Physics Osaka UniversityOsaka 565-0871Japan Research Center for Materials Nanoarchitectonics National Institute for Materials ScienceTsukuba 305-0044Japan Research Center for Electronic and Optical Materials National Institute for Materials ScienceTsukuba 305-0044Japan Corporate Research Taiwan Semiconductor Manufacturing CompanySan JoseCA 95134USA Corporate Research Taiwan Semiconductor Manufacturing CompanyHsinchu 30078

A semiconductor/dielectric interface is one of the dominant factors in device characteristics,and a variety of oxides with high dielectric constants and low interface trap densities have been used in carbon nanotube *** the crystal structure of nanotubes with no dangling bonds,there remains room to investigate unconventional dielectric ***,we fabricate carbon nanotube transistors with boron nitride nanotubes as interfacial layers between channels and gate dielectrics,where a single semiconducting nanotube is used to focus on switching behaviors at the subthreshold *** subthreshold swing of 68 mV·dec^(−1)is obtained despite a 100-nm-thick Sio_(2)dielectric,corresponding to the effective interface trap density of 5.2×10^(11)cm^(−2)·eV^(−1),one order of magnitude lower than those of carbon nanotube devices without boron nitride *** interfacial layers also result in the mild suppression of threshold voltage variation and *** achieve Ohmic contacts through the selective etching of boron nitride nanotubes with XeF2 gas,overcoming the trade-off imposed by wrapping the inner *** impacts of fluorinating carbon nanotubes on device performances are also confirmed as long as the etching is applied exclusively at source/drain *** results represent an important step toward nanoelectronics that exploit the advantage of one-dimensional van der Waals heterostructures.

关键词： carbon nanotubes hexagonal boron nitride van der Waals interfaces field-effect transistors subthreshold swing selective etching

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Realizing the thinnest hydrodynamic cloak in porous medium flow

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The Innovation 2022年第4期3卷 90-95页

作者： Mengyao Chen Xiangying Shen Lei Xu The Department of Physics The Chinese University of Hong KongShatinHong KongChina The Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China

Transformation mapping theory offers us great versatility to design invisible cloaks for the physical fields whose propagation equations remain invariant under coordinate *** cloaks are typically designed as a multi-layer shell with anisotropic material properties,which makes no disturbance to the external *** a result,an observer outside the cloak cannot detect the existence of this object from the field disturbances,leading to the invisible effect in terms of field *** fact,for many prorogating fields,at a large enough distance,the field distortion caused by an object is negligible anyway;thus,a thin cloak is desirable to achieve near-field ***,a thin cloak typically requires more challenging material properties,which are difficult to realize due to the huge variation of anisotropic material parameters in a thin cloak *** a flow field in a porous medium,by applying the bilayer cloak design method and integrating the inner layer with the obstacle,we successfully reduce the anisotropic multi-layer cloak into an isotropic single-layer *** properly tailoring the permeability of the porous medium,we realize the challenging material parameters required by the ultrathin cloak and build the thinnest shell-shaped cloak of all physical fields up to *** ratio between the cloak’s thickness and its shielding region is only *** design of such an ultrathin cloak may help to achieve the near-field invisibility and concealment of objects inside a fluid environment more effectively.

关键词： porous flow typically

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Identification of intrinsic vacancies and polarization effect on ternary halo-sulfur-bismuth compounds for efficient CO_(2) photoreduction under near-infrared light irradiation

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Carbon Energy 2024年第10期6卷 277-288页

作者： Jun Li Qingqing Chai Ranran Niu Wenfeng Pan Zhiquan Chen Liang Wang Kai Wang Zhongyi Liu Yifeng Liu Yao Xiao Bin Liu Henan Institute of Advanced Technology State Key Laboratory of Coking Coal Resources Green ExploitationCollege of ChemistryZhengzhou UniversityZhengzhouChina College of Basic Sciences Zhengzhou University of TechnologyZhengzhouChina Hubei Nuclear Solid Physics Key Laboratory Department of PhysicsWuhan UniversityWuhanChina School of Environmental and Chemical Engineering Shanghai UniversityShanghaiChina College of Urban and Environmental Sciences Hubei Normal UniversityHuangshiChina College of Chemistry and Materials Engineering Wenzhou UniversityWenzhouChina Department of Materials Science and Engineering City University of Hong KongHong Kong SARChina

Ternary halo-sulfur bismuth compound Bi_(19)X_(3)S_(27)(X=Cl,Br,I)with distinct electronic structure and full-spectrum light-harvesting properties show great application potential in the CO_(2) photoreduction ***,the relationship between photocatalytic CO_(2) reduction performance and the function of halogens in Bi_(19)X_(3)S_(27) is still poorly ***,a series of Bi_(19)X_(3)S_(27) nanorod photocatalysts with intrinsic X and S dual vacancies were developed,which showed significant near-infrared(NIR)light *** types and concentrations of intrinsic vacancies were confirmed and quantified by positron annihilation spectrometry and electron spin resonance *** results showed that Br atoms and intrinsic vacancies(dual Br-S)in Bi_(19)Br_(3)S_(27) could greatly enhance the internal polarized electric field and improve the transfer and separation of photogenerated carriers compared with Bi19Cl3S27 and *** calculations revealed that Br atoms in Bi_(19)Br_(3)S_(27) could facilitate CO_(2) adsorption and activation and decrease the formation energy of reactive *** Bi_(19)X_(3)S_(27) nanorods,Bi_(19)Br_(3)S_(27) nanorods revealed the highest CO_(2) photoreduction activity with CO yield rate of 28.68 and 2.28μmol gcatalyst^(−1) h^(−1) with full-spectrum and NIR lights,*** work presents an atomic understanding of the intrinsic vacancies and halogen-mediated CO_(2) photoreduction mechanism.

关键词： Bi_(19)X_(3)S_(27) CO_(2)photoreduction near-infrared light photocatalysis vacancy

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A hybrid single quantum dot coupled cavity on a CMOS-compatible SiC photonic chip for Purcellenhanced deterministic single-photon emission

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Light(science & Applications) 2025年第4期14卷 948-958页

作者： Yifan Zhu Runze Liu Ailun Yi Xudong Wang Yuanhao Qin Zihao Zhao Junyi Zhao Bowen Chen Xiuqi Zhang Sannian Song Yongheng Huo Xin Ou Jiaxiang Zhang State Key Laboratory of Materials for Integrated Circuits Shanghai Institute of Microsystem and Information TechnologyChinese Academy of Sciences865 Changning RoadShanghai 200050China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China Department of Physics The Chinese University of Hong KongHong Kong 999077China Hefei National Research Center for Physical Sciences the Microscale and School of Physical SciencesUniversity of Science and Technology of ChinaHefei 230026China Shanghai Research Center for Quantum Science and CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of ChinaShanghai 201315China

The ability to control nonclassical light emission from a single quantum emitter by an integrated cavity may unleash new perspectives for integrated photonic quantum ***,coupling a single quantum emitter to cavity within photonic circuitry towards creation of the Purcell-enhanced single-photon emission is elusive due to the complexity of integrating active devices in low-loss photonic *** we demonstrate a hybrid micro-ring resonator(HMRR)coupled with self-assembled quantum dots(QDs)for cavity-enhanced deterministic single-photon *** HMRR cavity supports whispering-gallery modes with quality factors up to 7.8×*** further introducing a micro-heater,we show that the photon emission of QDs can be locally and dynamically tuned over one free spectral ranges of the HMRR(~4 nm).This allows precise tuning of individual QDs in resonance with the cavity modes,thereby enhancing single-photon emission with a Purcell factor of about *** results on the hybrid integrated cavities coupled with two-level quantum emitters emerge as promising devices for chip-based scalable photonic quantum applications.

关键词： integrated cavity Purcell enhancement quantum dot quantum emitter photonic circuitry integrated photonic active devices quantum dots qds

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N-Heterocyclic Carbene Coordinated Cu Single Atoms on Poly(ionic Liquid)for Selective Electroreduction of CO_(2)to CH_(4) at High Current Density

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CCS Chemistry 2024年第12期6卷 3041-3052页

作者： Biao Meng Yujie Cao Xiao Chi Xiaoling Liu Wenwen Guan Chao Wu Xiaojiang Yu Siyu Zhu Yizhong Huang Yu Zhou Shibo Xi Jun Wang State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816 Department of Physics National University of SingaporeSingapore 117576 Institute of Sustainability for Chemicals Energy and Environment(ISCE2)Agency for ScienceTechnology and Research(A*STAR)Singapore 627833 College of Materials Science and Engineering Sichuan UniversityChengdu 610065 Synchrotron Light Source National University of SingaporeSingapore 117603 School of Materials Science and Engineering Nanyang Technological UniversitySingapore 639798

Finely adjusting the local environment of Cu single atom(SA)is crucial but challenging for the fabrication of electrocatalysts for the CO_(2)reduction reaction(CO_(2)RR)to produce clean energy methane(CH_(4)).Herein,poly(ionic liquid)s-stabilized Cu SAs with tunable Br-Cu-Cx configuration were directly synthesized through the self-polymerization of the ionic liquid monomer,a bis-vinylimidazolium salt,in the presence of Cu *** X-ray absorption fine structure,soft X-ray absorption,and X-ray photoelectron spectroscopy analyses showed that the Cu SAs were coordinated with N-heterocyclic carbene derived from the imidazole *** optimal catalyst Cu@P-2 with moderate Cu loading afforded a high Faradaic efficiency of∼70%at a high current of-250 mA cm^(-2)in the CO_(2)RR to CH_(4),associating with a turnover frequency as high as 1.0 s^(-1).This outstanding performance is assigned to the high density Cu SAs reaching strong affinity towards*CO intermediates in the case of moderate Cu loading,as revealed by in situ attenuated total reflection surface-enhanced infrared absorption spectroscopy analysis and theoretical calculated free energy profiles of CO_(2)RR to CH_(4).

关键词： electrocatalysis CO_(2)conversion poly(ionic liquid) single atom catalyst CH_(4)production

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Optimizing geometric configuration of single Zn-N_(4) sites for boosting reciprocal transformation between aromatic alcohols and aldehydes

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Nano Research 2023年第7期16卷 9132-9141页

作者： Shengjie Wei Yucheng Jin Chunlin Lv Chao Lian Zheng Chen Xiao Liang Qinghua Zhang Xin Chen Dongdong Qi Zhi Li School of Materials Science and Engineering Nankai UniversityTianjin 300350China Department of Chemistry Tsinghua UniversityBeijing 100084China Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials Department of ChemistryUniversity of Science and Technology BeijingBeijing 100083China School of Pharmacy and Center on Translational Neuroscience Minzu University of ChinaBeijing 100081China Department of Chemistry School of ScienceBeijing Jiaotong UniversityBeijing 100091China School of Chemistry and Materials Science Anhui Normal UniversityWuhu 241002China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Beijing Advanced Innovation Center for Materials Genome Engineering Institute of Solid State ChemistryUniversity of Science and Technology BeijingBeijing 100083China College of Chemistry Beijing Normal UniversityBeijing 100875China

It is significant to optimize geometric configuration of metal catalytic sites and boost their catalytic ***,we synthesized isolated single Zn-N_(4)sites on N-doped carbon(Zn-CN)by pyrolyzing zeolite imidazole framework-8(ZIF-8)at different *** the reciprocal transformation between benzyl alcohol and benzaldehyde,the catalytic activities of Zn-CN catalysts exhibited a volcano-like trend as the pyrolysis temperatures *** optimal catalyst was Zn-CN-900,with outstanding catalytic activity exceeding commercial 20 wt.%Pd/C and 20 wt.%Pt/C,promising to substitute the noble metalbased catalysts.X-ray absorption near-edge structure(XANES)measurements and density functional theory(DFT)calculation revealed the gradual transformation from tetrahedral ZnN_(4)sites of ZIF-8 into planar ZnN_(4)sites above 700℃,with the maximum planar ZnN_(4)sites in *** stronger adsorption between reactants and planar ZnN_(4)sites facilitated the activation of reactants compared with tetrahedral ZnN_(4)*** work will provide valuable insight into rational design of efficient catalysts by optimizing geometric configuration of catalytic sites.

关键词： geometric configuration single Zn-N_(4)sites benzyl alcohol oxidation hydrogen transfer reaction

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