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Volumn 47, Issue 7, 2014, Pages

Band structure engineering of monolayer MoS2 on h-BN: First-principles calculations

Author keywords

first principles calculation; graphene; Molybdenum disulfide

Indexed keywords

ATOMIC LAYER; BAND STRUCTURE ENGINEERING; CHARGE EXCHANGES; FIRST-PRINCIPLES CALCULATION; MOLYBDENUM DISULFIDE; STRAIN DISTRIBUTIONS; STRUCTURAL AND ELECTRONIC PROPERTIES; SURFACE BANDS;

EID: 84893634834     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/47/7/075301     Document Type: Article
Times cited : (103)

References (39)
  • 2
    • 79551634368 scopus 로고    scopus 로고
    • Two-dimensional nanosheets produced by liquid exfoliation of layered materials
    • 10.1126/science.1194975
    • Coleman J N et al 2011 Two-dimensional nanosheets produced by liquid exfoliation of layered materials Science 331 568-71
    • (2011) Science , vol.331 , pp. 568-571
    • Coleman, J.N.1
  • 3
    • 84863135562 scopus 로고    scopus 로고
    • Large-scale production of ultrathin topological insulator bismuth telluride nanosheets by a hydrothermal intercalation and exfoliation route
    • 10.1039/c2jm15973b
    • Ren L, Qi X, Liu Y, Hao G, Huang Z, Zou X, Yang L, Li J and Zhong J 2012 Large-scale production of ultrathin topological insulator bismuth telluride nanosheets by a hydrothermal intercalation and exfoliation route J. Mater. Chem. 22 4921-6
    • (2012) J. Mater. Chem. , vol.22 , pp. 4921-4926
    • Ren, L.1    Qi, X.2    Liu, Y.3    Hao, G.4    Huang, Z.5    Zou, X.6    Yang, L.7    Li, J.8    Zhong, J.9
  • 4
    • 84864250902 scopus 로고    scopus 로고
    • Graphene photonics, plasmonics, and broadband optoelectronic devices
    • 10.1021/nn300989g
    • Bao Q and Loh K P 2012 Graphene photonics, plasmonics, and broadband optoelectronic devices ACS Nano 6 3677-94
    • (2012) ACS Nano , vol.6 , pp. 3677-3694
    • Bao, Q.1    Loh, K.P.2
  • 7
    • 82755177414 scopus 로고    scopus 로고
    • Tunable band gaps in bilayer transition-metal dichalcogenides
    • 10.1103/PhysRevB.84.205325 1098-0121 B 205325
    • Ramasubramaniam A, Naveh D and Towe E 2011 Tunable band gaps in bilayer transition-metal dichalcogenides Phys. Rev. B 84 205325
    • (2011) Phys. Rev. , vol.84 , Issue.20
    • Ramasubramaniam, A.1    Naveh, D.2    Towe, E.3
  • 8
    • 79960644631 scopus 로고    scopus 로고
    • Thermal properties of graphene and nanostructured carbon materials
    • 10.1038/nmat3064 1476-1122
    • Balandin A A 2011 Thermal properties of graphene and nanostructured carbon materials Nature Mater. 10 569-81
    • (2011) Nature Mater. , vol.10 , pp. 569-581
    • Balandin, A.A.1
  • 9
    • 42349113188 scopus 로고    scopus 로고
    • Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits
    • DOI 10.1063/1.2907977
    • Ghosh S, Calizo I, Teweldebrhan D, Pokatilov E P, Nika D L, Balandin A A, Bao W, Miao F and Lau C N 2008 Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits Appl. Phys. Lett. 92 151911 (Pubitemid 351555695)
    • (2008) Applied Physics Letters , vol.92 , Issue.15 , pp. 151911
    • Ghosh, S.1    Calizo, I.2    Teweldebrhan, D.3    Pokatilov, E.P.4    Nika, D.L.5    Balandin, A.A.6    Bao, W.7    Miao, F.8    Lau, C.N.9
  • 11
    • 84884548309 scopus 로고    scopus 로고
    • Structural, electronic and magnetic properties of transition-metal embedded zigzag-edged graphene nanoribbons
    • 10.1088/0022-3727/46/37/375303 0022-3727 375303
    • Yu G, Lü X, Jiang L, Gao W and Yisong Z 2013 Structural, electronic and magnetic properties of transition-metal embedded zigzag-edged graphene nanoribbons J. Phys. D: Appl. Phys. 46 375303
    • (2013) J. Phys. D: Appl. Phys. , vol.46 , Issue.37
    • Yu, G.1    Lü, X.2    Jiang, L.3    Gao, W.4    Yisong, Z.5
  • 12
    • 84878420946 scopus 로고    scopus 로고
    • Fine band gap modulation effects of aGNRs by an organic functional group: A first-principles study
    • 10.1088/0022-3727/46/23/235101 0022-3727 235101
    • Liu N, Zheng Z, Yao Y, Zhang G, Lu N, Li P, Wang C and Kaiming H 2013 Fine band gap modulation effects of aGNRs by an organic functional group: a first-principles study J. Phys. D: Appl. Phys. 46 235101
    • (2013) J. Phys. D: Appl. Phys. , vol.46 , Issue.23
    • Liu, N.1    Zheng, Z.2    Yao, Y.3    Zhang, G.4    Lu, N.5    Li, P.6    Wang, C.7    Kaiming, H.8
  • 13
    • 84860752361 scopus 로고    scopus 로고
    • Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides
    • 10.1103/PhysRevLett.108.196802 0031-9007 196802
    • Xiao D, Liu G-B, Feng W, Xu X and Yao W 2012 Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides Phys. Rev. Lett. 108 196802
    • (2012) Phys. Rev. Lett. , vol.108 , Issue.19
    • Xiao, D.1    Liu, G.-B.2    Feng, W.3    Xu, X.4    Yao, W.5
  • 14
    • 84879548678 scopus 로고    scopus 로고
    • Two-dimensional semiconductors: Recent progress and future perspectives
    • 10.1039/c3tc00710c C
    • Song X, Hu J and Zeng H 2013 Two-dimensional semiconductors: recent progress and future perspectives J. Mater. Chem. C 1 2952-69
    • (2013) J. Mater. Chem. , vol.1 , pp. 2952-2969
    • Song, X.1    Hu, J.2    Zeng, H.3
  • 15
    • 84880549620 scopus 로고    scopus 로고
    • The structural, electronic and magnetic properties of bi-layered MoS2 with transition-metals doped in the interlayer
    • 10.1039/c3ra41490f
    • Huang Z, Peng X, Yang H, He C, Xue L, Hao G, Zhang C, Liu W, Qi X and Zhong J 2013 The structural, electronic and magnetic properties of bi-layered MoS2 with transition-metals doped in the interlayer RSC Adv. 3 12939-44
    • (2013) RSC Adv. , vol.3 , pp. 12939-12944
    • Huang, Z.1    Peng, X.2    Yang, H.3    He, C.4    Xue, L.5    Hao, G.6    Zhang, C.7    Liu, W.8    Qi, X.9    Zhong, J.10
  • 16
    • 77957204738 scopus 로고    scopus 로고
    • Atomically thin MoS2: A new direct-gap semiconductor
    • 10.1103/PhysRevLett.105.136805 0031-9007 136805
    • Mak K F, Lee C, Hone J, Shan J and Heinz T F 2010 Atomically thin MoS2: a new direct-gap semiconductor Phys. Rev. Lett. 105 136805
    • (2010) Phys. Rev. Lett. , vol.105 , Issue.13
    • Mak, K.F.1    Lee, C.2    Hone, J.3    Shan, J.4    Heinz, T.F.5
  • 19
    • 84877308723 scopus 로고    scopus 로고
    • Bandgap engineering of rippled MoS2 monolayer under external electric field
    • 10.1063/1.4803803 173112
    • Qi J, Li X, Qian X and Feng J 2013 Bandgap engineering of rippled MoS2 monolayer under external electric field Appl. Phys. Lett. 102 173112-4
    • (2013) Appl. Phys. Lett. , vol.102 , Issue.4
    • Qi, J.1    Li, X.2    Qian, X.3    Feng, J.4
  • 20
    • 84869074729 scopus 로고    scopus 로고
    • Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
    • 10.1038/nnano.2012.193 1748-3387
    • Wang Q H, Kalantar-Zadeh K, Kis A, Coleman J N and Strano M S 2012 Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Nature Nanotechnol. 7 699-712
    • (2012) Nature Nanotechnol. , vol.7 , pp. 699-712
    • Wang, Q.H.1    Kalantar-Zadeh, K.2    Kis, A.3    Coleman, J.N.4    Strano, M.S.5
  • 21
    • 84875825798 scopus 로고    scopus 로고
    • Graphene-like two-dimensional materials
    • 10.1021/cr300263a
    • Xu M, Liang T, Shi M and Chen H 2013 Graphene-like two-dimensional materials Chem. Rev. 113 3766-98
    • (2013) Chem. Rev. , vol.113 , pp. 3766-3798
    • Xu, M.1    Liang, T.2    Shi, M.3    Chen, H.4
  • 22
    • 80052790285 scopus 로고    scopus 로고
    • How good can monolayer MoS2 transistors Be?
    • 10.1021/nl2018178
    • Yoon Y, Ganapathi K and Salahuddin S 2011 How good can monolayer MoS2 transistors Be? Nano Lett. 11 3768-73
    • (2011) Nano Lett. , vol.11 , pp. 3768-3773
    • Yoon, Y.1    Ganapathi, K.2    Salahuddin, S.3
  • 23
    • 84883857200 scopus 로고    scopus 로고
    • Density functional theory study of Fe adatoms adsorbed monolayer and bilayer MoS2 sheets
    • 10.1063/1.4818952 083706
    • Huang Z, Hao G, He C, Yang H, Xue L, Qi X, Peng X and Zhong J 2013 Density functional theory study of Fe adatoms adsorbed monolayer and bilayer MoS2 sheets J. Appl. Phys. 114 083706
    • (2013) J. Appl. Phys. , vol.114
    • Huang, Z.1    Hao, G.2    He, C.3    Yang, H.4    Xue, L.5    Qi, X.6    Peng, X.7    Zhong, J.8
  • 24
    • 79961203438 scopus 로고    scopus 로고
    • Stability of boron nitride bilayers: Ground-state energies, interlayer distances, and tight-binding description
    • 10.1103/PhysRevB.83.235312 1098-0121 B 235312
    • Ribeiro R M and Peres N M R 2011 Stability of boron nitride bilayers: Ground-state energies, interlayer distances, and tight-binding description Phys. Rev. B 83 235312
    • (2011) Phys. Rev. , vol.83 , Issue.23
    • Ribeiro, R.M.1    Peres, N.M.R.2
  • 25
    • 33645507578 scopus 로고    scopus 로고
    • Excitons in boron nitride nanotubes: Dimensionality effects
    • 10.1103/PhysRevLett.96.126104 0031-9007 126104
    • Wirtz L, Marini A and Rubio A 2006 Excitons in boron nitride nanotubes: dimensionality effects Phys. Rev. Lett. 96 126104
    • (2006) Phys. Rev. Lett. , vol.96 , Issue.12
    • Wirtz, L.1    Marini, A.2    Rubio, A.3
  • 26
    • 77957908617 scopus 로고    scopus 로고
    • Boron nitride substrates for high-quality graphene electronics
    • 10.1038/nnano.2010.172 1748-3387
    • Dean C R et al 2010 Boron nitride substrates for high-quality graphene electronics Nature Nanotechnol. 5 722-6
    • (2010) Nature Nanotechnol. , vol.5 , pp. 722-726
    • Dean, C.R.1
  • 27
    • 77955351190 scopus 로고    scopus 로고
    • Energy gap tuning in graphene on hexagonal boron nitride bilayer system
    • 10.1103/PhysRevB.81.155433 1098-0121 B 155433
    • Sławińska J, Zasada I and Klusek Z 2010 Energy gap tuning in graphene on hexagonal boron nitride bilayer system Phys. Rev. B 81 155433
    • (2010) Phys. Rev. , vol.81 , Issue.15
    • Sławińska, J.1    Zasada, I.2    Klusek, Z.3
  • 28
    • 84863153193 scopus 로고    scopus 로고
    • Tunable and sizable band gap of single-layer graphene sandwiched between hexagonal boron nitride
    • 10.1038/am.2012.10
    • Quhe R et al 2012 Tunable and sizable band gap of single-layer graphene sandwiched between hexagonal boron nitride NPG Asia Mater. 4 e6
    • (2012) NPG Asia Mater. , vol.4 , pp. 6
    • Quhe, R.1
  • 29
    • 79952599595 scopus 로고    scopus 로고
    • Tunable band gaps in bilayer graphene-BN heterostructures
    • 10.1021/nl1039499
    • Ramasubramaniam A, Naveh D and Towe E 2011 Tunable band gaps in bilayer graphene-BN heterostructures Nano Lett. 11 1070-5
    • (2011) Nano Lett. , vol.11 , pp. 1070-1075
    • Ramasubramaniam, A.1    Naveh, D.2    Towe, E.3
  • 30
    • 84873570571 scopus 로고    scopus 로고
    • Vertical field-effect transistor based on graphene-WS2 heterostructures for flexible and transparent electronics
    • 10.1038/nnano.2012.224 1748-3387
    • Georgiou T et al 2013 Vertical field-effect transistor based on graphene-WS2 heterostructures for flexible and transparent electronics Nature Nanotechnol. 8 100-3
    • (2013) Nature Nanotechnol. , vol.8 , Issue.2 , pp. 100-103
    • Georgiou, T.1
  • 31
    • 69449093005 scopus 로고    scopus 로고
    • Efficient implementation of a van der Waals density functional: Application to double-wall carbon nanotubes
    • 10.1103/PhysRevLett.103.096102 0031-9007 096102
    • Román-Pérez G and Soler J M 2009 Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes Phys. Rev. Lett. 103 096102
    • (2009) Phys. Rev. Lett. , vol.103 , Issue.9
    • Román-Pérez, G.1    Soler, J.M.2
  • 32
    • 72249104051 scopus 로고    scopus 로고
    • Chemical accuracy for the van der Waals density functional
    • 10.1088/0953-8984/22/2/022201 0953-8984 022201
    • Klimeš J, David R B and Michaelides A 2010 Chemical accuracy for the van der Waals density functional J. Phys.: Condens. Matter 22 022201
    • (2010) J. Phys.: Condens. Matter , vol.22 , Issue.2
    • Klimeš, J.1    David, R.B.2    Michaelides, A.3
  • 33
    • 0142182573 scopus 로고    scopus 로고
    • Structural and electronic properties of h-BN
    • 10.1103/PhysRevB.68.104102 0163-1829 B 104102
    • Liu L, Feng Y P and Shen Z X 2003 Structural and electronic properties of h-BN Phys. Rev. B 68 104102
    • (2003) Phys. Rev. , vol.68 , Issue.10
    • Liu, L.1    Feng, Y.P.2    Shen, Z.X.3
  • 34
    • 84872240955 scopus 로고    scopus 로고
    • Electronic structure of boron nitride sheets doped with carbon from first-principles calculations
    • 10.1103/PhysRevB.87.035404 1098-0121 B 035404
    • Berseneva N, Gulans A, Krasheninnikov A V and Nieminen R M 2013 Electronic structure of boron nitride sheets doped with carbon from first-principles calculations Phys. Rev. B 87 035404
    • (2013) Phys. Rev. , vol.87 , Issue.3
    • Berseneva, N.1    Gulans, A.2    Krasheninnikov, A.V.3    Nieminen, R.M.4
  • 35
    • 80455150073 scopus 로고    scopus 로고
    • Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors
    • 10.1103/PhysRevB.84.153402 1098-0121 B 153402
    • Zhu Z Y, Cheng Y C and Schwingenschlögl U 2011 Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors Phys. Rev. B 84 153402
    • (2011) Phys. Rev. , vol.84 , Issue.15
    • Zhu, Z.Y.1    Cheng, Y.C.2    Schwingenschlögl, U.3
  • 36
    • 78049247526 scopus 로고    scopus 로고
    • Robustness of topologically protected surface states in layering of Bi2Te3 thin films
    • 10.1103/PhysRevLett.105.186801 0031-9007 186801
    • Park K, Heremans J J, Scarola V W and Minic D 2010 Robustness of topologically protected surface states in layering of Bi2Te3 thin films Phys. Rev. Lett. 105 186801
    • (2010) Phys. Rev. Lett. , vol.105 , Issue.18
    • Park, K.1    Heremans, J.J.2    Scarola, V.W.3    Minic, D.4
  • 37
    • 33744694553 scopus 로고
    • Self-consistent local-orbital method for calculating surface electronic structure: Application to Cu (1 0 0)
    • 10.1103/PhysRevB.21.2201 0163-1829 B
    • Smith J R, Gay J G and Arlinghaus F J 1980 Self-consistent local-orbital method for calculating surface electronic structure: application to Cu (1 0 0) Phys. Rev. B 21 2201-21
    • (1980) Phys. Rev. , vol.21 , pp. 2201-2221
    • Smith, J.R.1    Gay, J.G.2    Arlinghaus, F.J.3
  • 38
    • 84870655918 scopus 로고    scopus 로고
    • Strain-engineered artificial atom as a broad-spectrum solar energy funnel
    • 10.1038/nphoton.2012.285
    • Feng J, Qian X, Huang C-W and Li J 2012 Strain-engineered artificial atom as a broad-spectrum solar energy funnel Nature Photon. 6 866-72
    • (2012) Nature Photon. , vol.6 , pp. 866-872
    • Feng, J.1    Qian, X.2    Huang, C.-W.3    Li, J.4
  • 39
    • 84876179334 scopus 로고    scopus 로고
    • Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2
    • 10.1103/PhysRevB.87.155304 1098-0121 B 155304
    • Shi H, Pan H, Zhang Y-W and Yakobson B I 2013 Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2 Phys. Rev. B 87 155304
    • (2013) Phys. Rev. , vol.87 , Issue.15
    • Shi, H.1    Pan, H.2    Zhang, Y.-W.3    Yakobson, B.I.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.