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Replica higher-order topology of Hofstadter butterflies in twisted bilayer graphene
《npj Computational Materials》2023年第1期783-791,共9页Sun-Woo Kim Sunam Jeon Moon Jip Park Youngkuk Kim 
This work was supported by the Korean National Research Foundation(NRF)Basic Research Laboratory(NRF-2020R1A4A307970713);the NRF Grant numbers(NRF-2021R1A2C101387112 and NRF-2021M3H3A1038085);This work was also supported by the National Research Foundation of Korea(NRF)grant funded by the Korea government(MSIT)(RS-2023-00252085,RS-2023-00218998);The computational resource was provided by the Korea Institute of Science and Technology Information(KISTI)(KSC-2020-CRE-0108).
The Hofstadter energy spectrum of twisted bilayer graphene(TBG)is found to have recursive higher-order topological properties.We demonstrate that higher-order topological insulator(HOTI)phases,characterized by localiz...
关键词：properties SPECTRUM TOPOLOGICAL 
Exciton fine structure in twisted transition metal dichalcogenide heterostructures被引量：1
《npj Computational Materials》2023年第1期417-423,共7页Sudipta Kundu Tomer Amit H.R.Krishnamurthy Manish Jain Sivan Refaely-Abramson 
The project has received further funding from the European Research Council(ERC),Grant agreement No.101041159;an Israel Science Foundation Grant No.1208/19.M.J.and H.R.K.gratefully acknowledge the National Supercomputing Mission of the Department of Science and Technology,India,and the Science and Engineering Research Board of the Department of Science and Technology,India,for financial support under Grants No.DST/NSM/R&D_HPC_Applications/2021/23 and No.SB/DF/005/2017,respectively;Computational resources were provided by the Oak Ridge Leadership Computing Facility through the Innovative and Novel Computational Impact on Theory and Experiment(INCITE)program,which is a DOE Office of Science User Facility supported under Contract No.DE-AC05-00OR22725;Supercomputer Education and Research Center at Indian Institute of Science;the ChemFarm cluster at the Weizmann Institute of Science.
Moirésuperlattices of transition metal dichalcogenide(TMD)heterostructures give rise to rich excitonic phenomena associated with the interlayer twist angle.Theoretical calculations of excitons in such systems are typ...
关键词：TWISTED TWIST TRANSITION 
Alternating twisted multilayer graphene:generic partition rules,double flat bands,and orbital magnetoelectric effect
《npj Computational Materials》2022年第1期1037-1044,共8页Bo Xie Ran Peng Shihao Zhang Jianpeng Liu 
This work is supported by the National Key R&D program of China(grant no.2020YFA0309601);the National Science Foundation of China(grant no.12174257);the start-up grant of ShanghaiTech University.
Recently the alternating twisted trilayer graphene is discovered to exhibit unconventional superconductivity,which motivates us to study the electronic structures and possible correlation effects for this class of alt...
关键词：TWISTED BANDS ORBITAL 
Stochastic many-body calculations of moiréstates in twisted bilayer graphene at high pressures被引量：2
《npj Computational Materials》2022年第1期89-98,共10页Mariya Romanova Vojtěch Vlček 
The development of the off-diagonal self-energy and s-cRPA(VV)was supported by the NSF through NSF CAREER award Grant No.DMR-1945098;The development of the downfolding and the implementation(M.R.)were supported by the Materials Research Science and Engineering Centers(MRSEC)Program through Grant No.DMR-1720256(Seed Program);M.R.’s work was also supported by the NSF Quantum Foundry through Q-AMASE-i program Award No.DMR-1906325;The calculations were performed as part of the XSEDE123 computational Project No.TG-CHE180051;Use was made of computational facilities purchased with funds from the National Science Foundation(CNS-1725797)and administered by the Center for Scientific Computing(CSC).The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center(MRSEC,NSF DMR-1720256)at UC Santa Barbara.
We introduce three developments within the stochastic many-body perturbation theory:efficient evaluation of off-diagonal self-energy terms,construction of Dyson orbitals,and stochastic constrained random phase approxi...
关键词：INTERACTION TWISTED STOCHASTIC 
LaBr_(2)bilayer multiferroic moirésuperlattice with robust magnetoelectric coupling and magnetic bimerons被引量：1
《npj Computational Materials》2022年第1期1515-1523,共9页Wei Sun Wenxuan Wang Hang Li Xiaoning Li Zheyin Yu Ying Bai Guangbiao Zhang Zhenxiang Cheng 
We acknowledge grants from the National Natural Science Foundation of China under research(Nos.52102238,51571083,and 11674083);Henan University(No.CX3040A0950115,CJ3050A0670499,CJ3050A0670524);H.L.acknowledges the support from the National Natural Science Foundation of China(Grant No.11804078);Henan University(Grant No.CJ3050A0240050);Z.X.C.thanks Australia Research Council for support(DP190100150).
Two-dimensional(2D)van der Waals(vdW)materials provide the versatile playground to stack two or more vdW layers for creation of superior materials with desired properties.Here we theoretically adopt a twisted stack-en...
关键词：TWISTED COUPLING SUPERLATTICE 
Enhanced valley splitting of WSe_(2)in twisted van der Waals WSe_(2)/CrI_(3)heterostructures被引量：2
《npj Computational Materials》2022年第1期277-283,共7页Mei Ge Han Wang Jizheng Wu Chen Si Junfeng Zhang Shengbai Zhang 
Work in China was supported by the National Natural Science Foundation of China(12074235);S.Z.acknowledges the support by the U.S.Department of Energy(DOE)under Grant no.DESC0002623;C.S.also acknowledges support by the open research fund program of the state key laboratory of low dimensional quantum physics(KF202103).
Van der Waals(vdW)heterostructures composed of different two-dimensional(2D)materials offer an easily accessible way to combine properties of individual materials for applications.Owing to the discovery of a set of un...
关键词：TWISTED SPLITTING gained 
Conversion of twisted light to twisted excitons using carbon nanotubes
《npj Computational Materials》2022年第1期392-402,共11页Xiaoning Zang Nirpendra Singh Mark T.Lusk Udo Schwingenschlögl 
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology(KAUST).
Carbon nanotubes are explored as a means of coherently converting the orbital angular momentum of light to an excitonic form that is more amenable to quantum information processing.An analytical analysis,based on dyna...
关键词：TWISTED CARBON LIGHT 
An atomistic approach for the structural and electronic properties of twisted bilayer graphene-boron nitride heterostructures
《npj Computational Materials》2022年第1期687-696,共10页Min Long Pierre A.Pantaleón Zhen Zhan Francisco Guinea JoseÁngel Silva-Guillén Shengjun Yuan 
This work is supported by the National Science Foundation of China(Grant No.11774269 and No.12047543);IMDEA Nanociencia acknowledges support from the“Severo Ochoa"Programme for Centres of Excellence in R&D(Grant No.SEV-2016-0686);P.A.P and F.G.acknowledge funding from the European Commission,within the Graphene Flagship,Core 3,grant number 881603;the grant NMAT2D(Comunidad de Madrid,Spain);S.Y.acknowledges funding from the National Key R&D Program of China(Grant No.2018YFA0305800).
Twisted bilayer graphene(TBG)has taken the spotlight in the condensed matter community since the discovery of correlated phases.In this work,we study heterostructures of TBG and hexagonal boron nitride(hBN)using an at...
关键词：BORON ELECTRONIC TWISTED 
Chiral logic computing with twisted antiferromagnetic magnon modes
《npj Computational Materials》2021年第1期917-924,共8页Chenglong Jia Min Chen Alexander F.Schäffer Jamal Berakdar 
This work is supported by the National Natural Science Foundation of China(No.91963201,and 11834005);the German Research Foundation(SFB TRR 227);the 111 Project under Grant No.B2006。
Antiferromagnetic(AFM)materials offer an exciting platform for ultrafast information handling with low cross-talks and compatibility with existing technology.Particularly interesting for low-energy cost computing is t...
关键词：FERROMAGNETIC topology CHIRAL 
Ultra-flat twisted superlattices in 2D heterostructures
《npj Computational Materials》2020年第1期909-914,共6页Márton Szendrő Péter Süle Gergely Dobrik Levente Tapasztó 
Moiré-superlattices are ubiquitous in 2D heterostructures,strongly influencing their electronic properties.They give rise to new Dirac cones and are also at the origin of the superconductivity observed in magic-angle...
关键词：properties COR TWISTED 
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