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Volumn 2, Issue 3, 2015, Pages

The deformation and failure behaviour of phosphorene nanoribbons under uniaxial tensile strain

Author keywords

DFTB calculations; Edge stress; Failure mechanism; Phosphorene nanoribbons; Uniaxial tensile strain

Indexed keywords

DEFORMATION; NANORIBBONS;

EID: 84946580764     PISSN: None     EISSN: 20531583     Source Type: Journal    
DOI: 10.1088/2053-1583/2/3/035007     Document Type: Article
Times cited : (43)

References (96)
  • 2
    • 84904707277 scopus 로고    scopus 로고
    • Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics
    • Xia F, Wang H and Jia Y 2014 Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics Nat. Commun. 5 4458
    • (2014) Nat. Commun , vol.5 , pp. 4458
    • Xia, F.1    Wang, H.2    Jia, Y.3
  • 3
    • 84940198557 scopus 로고    scopus 로고
    • Isolation and characterization of few-layer black phosphorus 2D
    • Castellanos-Gomez A et al 2014 Isolation and characterization of few-layer black phosphorus 2D Materials 1 025001
    • (2014) Materials , vol.1
    • Castellanos-Gomez, A.1
  • 7
    • 2942513238 scopus 로고    scopus 로고
    • Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal
    • Watanabe K, Taniguchi T and Kanda H 2004 Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal Nat. Mater. 3 404-9
    • (2004) Nat. Mater , vol.3 , pp. 404-409
    • Watanabe, K.1    Taniguchi, T.2    Kanda, H.3
  • 8
    • 77955566830 scopus 로고    scopus 로고
    • Large scale growth and characterization of atomic hexagonal boron nitride layers
    • Song L et al 2010 Large scale growth and characterization of atomic hexagonal boron nitride layers Nano Lett. 10 3209-15
    • (2010) Nano Lett , vol.10 , pp. 3209-3215
    • Song, L.1
  • 9
    • 84867792098 scopus 로고    scopus 로고
    • Synthesis and characterization of hexagonal boron nitride film as a dielectric layer for graphene devices
    • Kim KK, Hsu A, Jia X, Kim SM, Shi Y, Dresselhaus M, Palacios T and Kong J 2012 Synthesis and characterization of hexagonal boron nitride film as a dielectric layer for graphene devices ACS Nano 6 8583-90
    • (2012) ACS Nano , vol.6 , pp. 8583-8590
    • Kim, K.K.1    Hsu, A.2    Jia, X.3    Kim, S.M.4    Shi, Y.5    Dresselhaus, M.6    Palacios, T.7    Kong, J.8
  • 14
  • 15
  • 16
    • 84875413255 scopus 로고    scopus 로고
    • The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
    • Chhowalla M, Shin HS, Eda G, Li L-J, Loh KP and Zhang H 2013 The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets Nat. Chem. 5 263-75
    • (2013) Nat. Chem , vol.5 , pp. 263-275
    • Chhowalla, M.1    Shin, H.S.2    Eda, G.3    Li, L.-J.4    Loh, K.P.5    Zhang, H.6
  • 18
    • 84908431378 scopus 로고    scopus 로고
    • Device perspective for black phosphorus field-effect transistors: Contact resistance, ambipolar behavior, and scaling
    • Du Y, Liu H, Deng Y and Ye PD 2014 Device perspective for black phosphorus field-effect transistors: contact resistance, ambipolar behavior, and scaling ACS Nano 8 10035-42
    • (2014) ACS Nano , vol.8 , pp. 10035-10042
    • Du, Y.1    Liu, H.2    Deng, Y.3    Ye, P.D.4
  • 21
    • 84912568174 scopus 로고    scopus 로고
    • Layer-dependent band alignment and work function of few-layer phosphorene
    • Cai Y, Zhang G and Zhang Y-W 2014 Layer-dependent band alignment and work function of few-layer phosphorene Sci. Rep. 4 6677
    • (2014) Sci. Rep , vol.4 , pp. 6677
    • Cai, Y.1    Zhang, G.2    Zhang, Y.-W.3
  • 23
    • 84898075261 scopus 로고    scopus 로고
    • Phosphorene excites materials scientists
    • Reich E S 2014 Phosphorene excites materials scientists Nature 506 19
    • (2014) Nature , vol.506 , pp. 19
    • Reich, E.S.1
  • 24
    • 84910129685 scopus 로고    scopus 로고
    • Origin of photoresponse in black phosphorus phototransistors
    • Low T, Engel M, Steiner M and Avouris P 2014 Origin of photoresponse in black phosphorus phototransistors Phys. Rev. B 90 081408
    • (2014) Phys. Rev. B , vol.90
    • Low, T.1    Engel, M.2    Steiner, M.3    Avouris, P.4
  • 25
    • 84978903401 scopus 로고    scopus 로고
    • Superior mechanical flexibility of phosphorene and few-layer black phosphorus
    • Wei Q and Peng X 2014 Superior mechanical flexibility of phosphorene and few-layer black phosphorus Appl. Phys. Lett. 104 251915
    • (2014) Appl. Phys. Lett , vol.104
    • Wei, Q.1    Peng, X.2
  • 27
    • 84905728441 scopus 로고    scopus 로고
    • Phosphorene as a superior gas sensor: Selective adsorption and distinct I-V response
    • Kou L, Frauenheim T and Chen C 2014 Phosphorene as a superior gas sensor: Selective adsorption and distinct I-V response J. Phys. Chem. Lett. 5 2675-81
    • (2014) J. Phys. Chem. Lett , vol.5 , pp. 2675-2681
    • Kou, L.1    Frauenheim, T.2    Chen, C.3
  • 28
    • 84923169324 scopus 로고    scopus 로고
    • Energetics, charge transfer, and magnetism of small molecules physisorbed on phosphorene
    • Cai Y, Ke Q, Zhang G and Zhang Y-W 2015 Energetics, charge transfer, and magnetism of small molecules physisorbed on phosphorene J. Phys. Chem.C119 3102-10
    • (2015) J. Phys. Chem. C , vol.119 , pp. 3102-3110
    • Cai, Y.1    Ke, Q.2    Zhang, G.3    Zhang, Y.-W.4
  • 29
    • 84922894943 scopus 로고    scopus 로고
    • Small molecules make big differences: Molecular doping effects on electronic and optical properties of phosphorene
    • Jing Y, Tang Q, He P, Zhou Z and Shen P 2015 Small molecules make big differences: molecular doping effects on electronic and optical properties of phosphorene Nanotechnology 26 095201
    • (2015) Nanotechnology , vol.26
    • Jing, Y.1    Tang, Q.2    He, P.3    Zhou, Z.4    Shen, P.5
  • 32
    • 84910142215 scopus 로고    scopus 로고
    • Enhanced thermoelectric efficiency via orthogonal electrical and thermal conductances in phosphorene
    • Fei R, Faghaninia A, Soklaski R, Yan J-A, Lo C and Yang L 2014 Enhanced thermoelectric efficiency via orthogonal electrical and thermal conductances in phosphorene Nano Lett. 14 6393-9
    • (2014) Nano Lett , vol.14 , pp. 6393-6399
    • Fei, R.1    Faghaninia, A.2    Soklaski, R.3    Yan, J.-A.4    Lo, C.5    Yang, L.6
  • 34
    • 84922388254 scopus 로고    scopus 로고
    • Afirst-principles study on electron donor and acceptor molecules adsorbed on phosphorene
    • Zhang R, Li B and Yang J 2015 Afirst-principles study on electron donor and acceptor molecules adsorbed on phosphorene J. Phys. Chem.C119 2871-8
    • (2015) J. Phys. Chem.C , vol.119 , pp. 2871-2878
    • Zhang, R.1    Li, B.2    Yang, J.3
  • 35
    • 84908134572 scopus 로고    scopus 로고
    • The potential application of phosphorene as an anode material in Li-ion batteries
    • Zhao S, Kang W and Xue J 2014 The potential application of phosphorene as an anode material in Li-ion batteries J. Mater. Chem. A 2 19046-52
    • (2014) J. Mater. Chem. A , vol.2 , pp. 19046-19052
    • Zhao, S.1    Kang, W.2    Xue, J.3
  • 36
    • 84924611306 scopus 로고    scopus 로고
    • Ultrafast and directional diffusion of lithium in phosphorene for highperformance lithium-ion battery
    • Li W, Yang Y, Zhang G and Zhang Y-W 2015 Ultrafast and directional diffusion of lithium in phosphorene for highperformance lithium-ion battery Nano Lett. 15 1691-7
    • (2015) Nano Lett , vol.15 , pp. 1691-1697
    • Li, W.1    Yang, Y.2    Zhang, G.3    Zhang, Y.-W.4
  • 39
    • 84881167566 scopus 로고    scopus 로고
    • Van der Waals heterostructures
    • Geim AK and Grigorieva IV 2013 Van der Waals heterostructures Nature 499 419-25
    • (2013) Nature , vol.499 , pp. 419-425
    • Geim, A.K.1    Grigorieva, I.V.2
  • 40
    • 84914695486 scopus 로고    scopus 로고
    • Strain engineering for phosphorene: The potential application as a photocatalyst
    • Sa B, Li Y-L, Qi J, Ahuja R and Sun Z 2014 Strain engineering for phosphorene: the potential application as a photocatalyst J. Phys. Chem.C118 26560-8
    • (2014) J. Phys. Chem.C , vol.118 , pp. 26560-26568
    • Sa, B.1    Li, Y.-L.2    Qi, J.3    Ahuja, R.4    Sun, Z.5
  • 41
    • 84906087819 scopus 로고    scopus 로고
    • Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons
    • Han X, Morgan Stewart H, Shevlin S, Catlow CR and Guo ZX 2014 Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons Nano Lett. 14 4607-14
    • (2014) Nano Lett , vol.14 , pp. 4607-4614
    • Han, X.1    Morgan Stewart, H.2    Shevlin, S.3    Catlow, C.R.4    Guo, Z.X.5
  • 42
    • 84898072730 scopus 로고    scopus 로고
    • Bilayer phosphorene: Effect of stacking order on bandgap and its potential applications in thin-film solar cells
    • Dai J and Zeng XC 2014 Bilayer phosphorene: effect of stacking order on bandgap and its potential applications in thin-film solar cells J. Phys. Chem. Lett. 5 1289-93
    • (2014) J. Phys. Chem. Lett , vol.5 , pp. 1289-1293
    • Dai, J.1    Zeng, X.C.2
  • 43
    • 84898060562 scopus 로고    scopus 로고
    • Phosphorene: An unexplored 2D semiconductor with a high hole mobility
    • Liu H, Neal A T, Zhu Z, Luo Z, Xu X, Tománek D and Ye PD 2014 Phosphorene: an unexplored 2D semiconductor with a high hole mobility ACS Nano 8 4033-41
    • (2014) ACS Nano , vol.8 , pp. 4033-4041
    • Liu, H.1    Neal, A.T.2    Zhu, Z.3    Luo, Z.4    Xu, X.5    Tománek, D.6    Ye, P.D.7
  • 45
    • 84905750141 scopus 로고    scopus 로고
    • Strain-engineered directindirect band gap transition and its mechanism in twodimensional phosphorene
    • Peng X, Wei Q and Copple A 2014 Strain-engineered directindirect band gap transition and its mechanism in twodimensional phosphorene Phys. Rev. B 90 085402
    • (2014) Phys. Rev. B , vol.90
    • Peng, X.1    Wei, Q.2    Copple, A.3
  • 46
    • 84900478786 scopus 로고    scopus 로고
    • Strain-engineering the anisotropic electrical conductance of few-layer black phosphorus
    • Fei R and Yang L 2014 Strain-engineering the anisotropic electrical conductance of few-layer black phosphorus Nano Lett. 14 2884-9
    • (2014) Nano Lett , vol.14 , pp. 2884-2889
    • Fei, R.1    Yang, L.2
  • 47
    • 84904616293 scopus 로고    scopus 로고
    • High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
    • Qiao J, Kong X, HuZ-X, Yang F and Ji W 2014 High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus Nat. Commun. 5 4475
    • (2014) Nat. Commun , vol.5 , pp. 4475
    • Qiao, J.1    Kong, X.2    Huz-X Yang, F.3    Ji, W.4
  • 48
    • 84908055378 scopus 로고    scopus 로고
    • Modulation of the electronic properties of ultrathin black phosphorus by strain and electrical field
    • Li Y, Yang S and Li J 2014 Modulation of the electronic properties of ultrathin black phosphorus by strain and electrical field J. Phys. Chem.C118 23970-6
    • (2014) J. Phys. Chem.C , vol.118 , pp. 23970-23976
    • Li, Y.1    Yang, S.2    Li, J.3
  • 49
    • 84924615936 scopus 로고    scopus 로고
    • Compressive straining of bilayer phosphorene leads to extraordinary electron mobility at a new conduction band edge
    • Morgan Stewart H, Shevlin S, Catlow CR and Guo ZX 2015 Compressive straining of bilayer phosphorene leads to extraordinary electron mobility at a new conduction band edge Nano Lett. 15 2006-10
    • (2015) Nano Lett , vol.15 , pp. 2006-2010
    • Morgan Stewart, H.1    Shevlin, S.2    Catlow, C.R.3    Guo, Z.X.4
  • 50
    • 84911403555 scopus 로고    scopus 로고
    • Tuning of the electronic and optical properties of single-layer black phosphorus by strain
    • Çakir D, Sahin H and Peeters FM 2014 Tuning of the electronic and optical properties of single-layer black phosphorus by strain Phys. Rev. B 90 205421
    • (2014) Phys. Rev. B , vol.90
    • Çakir, D.1    Sahin, H.2    Peeters, F.M.3
  • 51
    • 84924358523 scopus 로고    scopus 로고
    • Modulation of electronic and mechanical properties of phosphorene through strain
    • Elahi M, Khaliji K, Tabatabaei SM, Pourfath M and Asgari R 2015 Modulation of electronic and mechanical properties of phosphorene through strain Phys. Rev. B 91 115412
    • (2015) Phys. Rev. B , vol.91
    • Elahi, M.1    Khaliji, K.2    Tabatabaei, S.M.3    Pourfath, M.4    Asgari, R.5
  • 52
    • 84921019230 scopus 로고    scopus 로고
    • Mechanical properties of singlelayer black phosphorus
    • Jiang J-W and Park HS 2014 Mechanical properties of singlelayer black phosphorus J. Phys. D: Appl. Phys. 47 385304
    • (2014) J. Phys. D: Appl. Phys , vol.47
    • Jiang, J.-W.1    Park, H.S.2
  • 53
    • 84908543941 scopus 로고    scopus 로고
    • Mechanical and electronic properties of monolayer and bilayer phosphorene under uniaxial and isotropic strains
    • Hu T, Han Y and Dong J 2014 Mechanical and electronic properties of monolayer and bilayer phosphorene under uniaxial and isotropic strains Nanotechnology 25 455703
    • (2014) Nanotechnology , vol.25
    • Hu, T.1    Han, Y.2    Dong, J.3
  • 54
    • 84908565354 scopus 로고    scopus 로고
    • Strong thermal transport anisotropy and strain modulation in single-layer phosphorene
    • Ong Z-Y, Cai Y, Zhang G and Zhang Y-W 2014 Strong thermal transport anisotropy and strain modulation in single-layer phosphorene J. Phys. Chem.C118 25272-7
    • (2014) J. Phys. Chem.C , vol.118 , pp. 25272-25277
    • Ong, Z.-Y.1    Cai, Y.2    Zhang, G.3    Zhang, Y.-W.4
  • 55
    • 84923377326 scopus 로고    scopus 로고
    • Strongly anisotropic inplane thermal transport in single-layer black phosphorene
    • Jain A and Mc Gaughey A JH 2015 Strongly anisotropic inplane thermal transport in single-layer black phosphorene Sci. Rep. 5 8501
    • (2015) Sci. Rep , vol.5 , pp. 8501
    • Jain, A.1    Mc Gaughey, A.J.H.2
  • 56
    • 84923336736 scopus 로고    scopus 로고
    • Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles
    • Qin G, Yan Q-B, Qin Z, Yue S-Y, Hu M and Su G 2015 Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles Phys. Chem. Chem. Phys. 17 4854-8
    • (2015) Phys. Chem. Chem. Phys , vol.17 , pp. 4854-4858
    • Qin, G.1    Yan, Q.-B.2    Qin, Z.3    Yue, S.-Y.4    Hu, M.5    Su, G.6
  • 58
    • 84906093410 scopus 로고    scopus 로고
    • Phosphorene nanoribbons phosphorus nanotubes and van der waals multilayers
    • Guo H, Lu N, Dai J, Wu X and Zeng XC 2014 Phosphorene nanoribbons, phosphorus nanotubes, and van der waals multilayers J. Phys. Chem.C118 14051-9
    • (2014) J. Phys. Chem.C , vol.118 , pp. 14051-14059
    • Guo, H.1    Lu, N.2    Dai, J.3    Wu, X.4    Zeng, X.C.5
  • 60
    • 84907466626 scopus 로고    scopus 로고
    • Electronic properties of edge-hydrogenated phosphorene nanoribbons: A firstprinciples study
    • Li W, Zhang G and Zhang Y-W 2014 Electronic properties of edge-hydrogenated phosphorene nanoribbons: a firstprinciples study J. Phys. Chem.C118 22368-72
    • (2014) J. Phys. Chem.C , vol.118 , pp. 22368-22372
    • Li, W.1    Zhang, G.2    Zhang, Y.-W.3
  • 61
    • 84902764385 scopus 로고    scopus 로고
    • Scaling laws for the band gap and optical response of phosphorene nanoribbons
    • Tran V and Yang L 2014 Scaling laws for the band gap and optical response of phosphorene nanoribbons Phys. Rev. B 89 245407
    • (2014) Phys. Rev. B , vol.89
    • Tran, V.1    Yang, L.2
  • 63
    • 84868213171 scopus 로고    scopus 로고
    • Strain and chirality effects on the mechanical and electronic properties of silicene and silicane under uniaxial tension
    • Zhao H 2012 Strain and chirality effects on the mechanical and electronic properties of silicene and silicane under uniaxial tension Phys. Lett. A 376 3546-50
    • (2012) Phys. Lett. A , vol.376 , pp. 3546-3550
    • Zhao, H.1
  • 64
    • 71649103143 scopus 로고    scopus 로고
    • A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene
    • Pei QX, Zhang YW and Shenoy VB 2010 A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene Carbon 48 898-904
    • (2010) Carbon , vol.48 , pp. 898-904
    • Pei, Q.X.1    Zhang, Y.W.2    Shenoy, V.B.3
  • 65
    • 79960462380 scopus 로고    scopus 로고
    • Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension
    • Lu Q, Gao W and Huang R 2011 Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension Modelling Simul. Mater. Sci. Eng. 19 054006
    • (2011) Modelling Simul. Mater. Sci. Eng , vol.19
    • Lu, Q.1    Gao, W.2    Huang, R.3
  • 66
    • 84881609811 scopus 로고    scopus 로고
    • Atomistic simulations on the mechanical properties of silicene nanoribbons under uniaxial tension
    • Jing Y, Sun Y, Niu H and Shen J 2013 Atomistic simulations on the mechanical properties of silicene nanoribbons under uniaxial tension Phys. Status Solidi B 250 1505-9
    • (2013) Phys. Status Solidi B , vol.250 , pp. 1505-1509
    • Jing, Y.1    Sun, Y.2    Niu, H.3    Shen, J.4
  • 67
    • 2442522754 scopus 로고
    • Simplified LCAO method for the periodic potential problem
    • Slater JC and Koster GF 1954 Simplified LCAO method for the periodic potential problem Phys. Rev. 94 1498-524
    • (1954) Phys. Rev , vol.94 , pp. 1498-1524
    • Slater, J.C.1    Koster, G.F.2
  • 68
  • 71
    • 84903528318 scopus 로고    scopus 로고
    • Density functional tight binding: Values of semi-empirical methods in an ab initio era
    • Cui Q and Elstner M 2014 Density functional tight binding: values of semi-empirical methods in an ab initio era Phys. Chem. Chem. Phys. 16 14368-77
    • (2014) Phys. Chem. Chem. Phys , vol.16 , pp. 14368-14377
    • Cui, Q.1    Elstner, M.2
  • 73
    • 0034339289 scopus 로고    scopus 로고
    • A self-consistent charge density-functional based tight-binding method for predictive materials simulations in physics, chemistry and biology
    • Frauenheim T, Seifert G, Elstner M, Hajnal Z, Jungnickel G, Porezag D, Suhai S and Scholz R 2000 A self-consistent charge density-functional based tight-binding method for predictive materials simulations in physics, chemistry and biology Phys. Status Solidi B 217 41-62
    • (2000) Phys. Status Solidi B , vol.217 , pp. 41-62
    • Frauenheim, T.1    Seifert, G.2    Elstner, M.3    Hajnal, Z.4    Jungnickel, G.5    Porezag, D.6    Suhai, S.7    Scholz, R.8
  • 75
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W and Sham L J 1965 Self-consistent equations including exchange and correlation effects Phys. Rev. 140 A 1133
    • (1965) Phys. Rev , vol.140 , pp. A1133
    • Kohn, W.1    Sham, L.J.2
  • 76
    • 0004093453 scopus 로고
    • Spherical harmonics Lect
    • Müller C 1966 Spherical harmonics Lect. Notes Math. 17 40-4
    • (1966) Notes Math , vol.17 , pp. 40-44
    • Müller, C.1
  • 77
    • 77950183357 scopus 로고    scopus 로고
    • An improved self-consistent-charge density-functional tightbinding (SCC-DFTB) set of parameters for simulation of bulk and molecular systems involving titanium
    • Dolgonos G, Aradi B, Moreira NH and Frauenheim T 2010 An improved self-consistent-charge density-functional tightbinding (SCC-DFTB) set of parameters for simulation of bulk and molecular systems involving titanium J. Chem. Theory Comput. 6 266-78
    • (2010) J. Chem. Theory Comput , vol.6 , pp. 266-278
    • Dolgonos, G.1    Aradi, B.2    Moreira, N.H.3    Frauenheim, T.4
  • 78
    • 5444272387 scopus 로고    scopus 로고
    • Quantum mechanical basis for Mulliken population analysis
    • Carbó-Dorca R and Bultinck P 2004 Quantum mechanical basis for Mulliken population analysis J. Math. Chem. 36 231-9
    • (2004) J. Math. Chem , vol.36 , pp. 231-239
    • Carbó-Dorca, R.1    Bultinck, P.2
  • 79
    • 0000062207 scopus 로고    scopus 로고
    • Theoretical prediction of phosphorus nanotubes
    • Seifert G and Hernández E 2000 Theoretical prediction of phosphorus nanotubes Chem. Phys. Lett. 318 355-60
    • (2000) Chem. Phys. Lett , vol.318 , pp. 355-360
    • Seifert, G.1    Hernández, E.2
  • 80
    • 84922426311 scopus 로고    scopus 로고
    • Scaling laws of band gaps of phosphorene nanoribbons: A tightbinding calculation
    • Taghizadeh Sisakht E, Zare MH and Fazileh F 2015 Scaling laws of band gaps of phosphorene nanoribbons: a tightbinding calculation Phys. Rev. B 91 085409
    • (2015) Phys. Rev. B , vol.91
    • Taghizadeh Sisakht, E.1    Zare, M.H.2    Fazileh, F.3
  • 81
    • 84902136237 scopus 로고    scopus 로고
    • Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
    • Rudenko AN and Katsnelson MI 2014 Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus Phys. Rev. B 89 201408
    • (2014) Phys. Rev. B , vol.89
    • Rudenko, A.N.1    Katsnelson, M.I.2
  • 82
    • 0019009919 scopus 로고
    • Electronic structure of black phosphorus: Tight binding approach
    • Takao Y and Morita A 1981 Electronic structure of black phosphorus: tight binding approach Physica B+C105 93-8
    • (1981) Physica B+C105 , pp. 93-98
    • Takao, Y.1    Morita, A.2
  • 83
    • 0019624072 scopus 로고
    • Electronic structure of black phosphorus in tight binding approach
    • Takao Y, Asahina H and Morita A 1981 Electronic structure of black phosphorus in tight binding approach J. Phys. Soc. Japan 50 3362-9
    • (1981) J. Phys. Soc. Japan , vol.50 , pp. 3362-3369
    • Takao, Y.1    Asahina, H.2    Morita, A.3
  • 84
    • 84930011985 scopus 로고    scopus 로고
    • The structure and elastic properties of phosphorene edges
    • Sorkin V and Zhang YW 2015 The structure and elastic properties of phosphorene edges Nanotechnology 26 235707
    • (2015) Nanotechnology , vol.26
    • Sorkin, V.1    Zhang, Y.W.2
  • 85
    • 1842816907 scopus 로고
    • Special points for Brillouinzone integrations
    • Monkhorst HJ and Pack JD 1976 Special points for Brillouinzone integrations Phys. Rev. B 13 5188-92
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 86
    • 4243456412 scopus 로고
    • 'Special points for Brillouinzone integrations'-A reply
    • Pack JD and Monkhorst HJ 1977 'Special points for Brillouinzone integrations'-a reply Phys. Rev. B 16 1748-9
    • (1977) Phys. Rev. B , vol.16 , pp. 1748-1749
    • Pack, J.D.1    Monkhorst, H.J.2
  • 87
    • 12344328934 scopus 로고
    • Special points in the Brillouin zone
    • Chadi DJ and Cohen ML 1973 Special points in the Brillouin zone Phys. Rev. B 8 5747-53
    • (1973) Phys. Rev. B , vol.8 , pp. 5747-5753
    • Chadi, D.J.1    Cohen, M.L.2
  • 89
    • 84898462014 scopus 로고    scopus 로고
    • Parameterization of DFTB3/3OB for sulfur and phosphorus for chemical and biological applications
    • Gaus M, Lu X, Elstner M and Cui Q 2014 Parameterization of DFTB3/3OB for sulfur and phosphorus for chemical and biological applications J. Chem. Theory Computat. 10 1518-37
    • (2014) J. Chem. Theory Computat , vol.10 , pp. 1518-1537
    • Gaus, M.1    Lu, X.2    Elstner, M.3    Cui, Q.4
  • 90
    • 84925537790 scopus 로고    scopus 로고
    • Structural evolution of the silicon nanowire via molecular dynamics simulations: The double-strand atomic chain and the monatomic chain
    • Wang F-C and Zhao Y-P 2014 Structural evolution of the silicon nanowire via molecular dynamics simulations: the double-strand atomic chain and the monatomic chain Arch. Appl. Mech. 85 323-9
    • (2014) Arch. Appl. Mech , vol.85 , pp. 323-329
    • Wang, F.-C.1    Zhao, Y.-P.2
  • 91
    • 84876010169 scopus 로고    scopus 로고
    • Bond breaking and bond formation: How electron correlation is captured in many-body perturbation theory and density-functional theory
    • Caruso F, Rohr DR, Hellgren M, Ren X, Rinke P, Rubio A and Scheffler M 2013 Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory Phys. Rev. Lett. 110 146403
    • (2013) Phys. Rev. Lett , vol.110
    • Caruso, F.1    Rohr, D.R.2    Hellgren, M.3    Ren, X.4    Rinke, P.5    Rubio, A.6    Scheffler, M.7
  • 92
    • 0033548611 scopus 로고    scopus 로고
    • Howstrong is a covalent bond?
    • Grandbois M 1999 Howstrong is a covalent bond? Science 283 1727-30
    • (1999) Science , vol.283 , pp. 1727-1730
    • Grandbois, M.1
  • 93
    • 12044258300 scopus 로고
    • Electron transfer, bond breaking, and bond formation
    • Saveant JM 1993 Electron transfer, bond breaking, and bond formation Acc. Chem. Res. 26 455-61
    • (1993) Acc. Chem. Res , vol.26 , pp. 455-461
    • Saveant, J.M.1
  • 95
    • 78650088312 scopus 로고    scopus 로고
    • Spontaneous curling of graphene sheets with reconstructed edges
    • Shenoy VB, Reddy CD and Zhang YW 2010 Spontaneous curling of graphene sheets with reconstructed edges ACS Nano 4 4840-4
    • (2010) ACS Nano , vol.4 , pp. 4840-4844
    • Shenoy, V.B.1    Reddy, C.D.2    Zhang, Y.W.3


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