메뉴 건너뛰기




Volumn 21, Issue 44, 2010, Pages

Piezoelectric constants for ZnO calculated using classical polarizable core-shell potentials

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ATOMISTIC SIMULATIONS; CORE-SHELL; ELECTRON POLARIZATION; INTERATOMIC POTENTIAL; MOLECULAR STATICS; PIEZOELECTRIC CONSTANT; PIEZOELECTRIC PROPERTY; PIEZOELECTRIC RESPONSE; ZNO; ZNO NANOSTRUCTURES;

EID: 77958517065     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/21/44/445707     Document Type: Article
Times cited : (58)

References (46)
  • 1
    • 0028396128 scopus 로고
    • The non-stoichiometry of zinc and chromium excess zinc chromite
    • Binks D J and Grimes R W 1994 The non-stoichiometry of zinc and chromium excess zinc chromite Solid State Commun. 89 921-4
    • (1994) Solid State Commun. , vol.89 , pp. 921-924
    • Binks, D.J.1    Grimes, R.W.2
  • 3
    • 27144528640 scopus 로고    scopus 로고
    • On the effectiveness of vibration-based energy harvesting
    • Roundy S 2005 On the effectiveness of vibration-based energy harvesting J. Intell. Mater. Syst. Struct. 16 809-23
    • (2005) J. Intell. Mater. Syst. Struct. , vol.16 , pp. 809-823
    • Roundy, S.1
  • 4
    • 34249296681 scopus 로고    scopus 로고
    • A review of power harvesting using piezoelectric materials (2003-2006)
    • Anton S R and Sodano H A 2007 A review of power harvesting using piezoelectric materials (2003-2006) Smart Mater. Struct. 16 R1-21
    • (2007) Smart Mater. Struct. , vol.16
    • Anton, S.R.1    Sodano, H.A.2
  • 5
    • 33645810366 scopus 로고    scopus 로고
    • Piezoelectric nanogenerators based on zinc oxide nanowire arrays
    • Wang Z L and Song J 2006 Piezoelectric nanogenerators based on zinc oxide nanowire arrays Science 312 242-6
    • (2006) Science , vol.312 , pp. 242-246
    • Wang, Z.L.1    Song, J.2
  • 6
    • 33846455436 scopus 로고    scopus 로고
    • Nanowire piezoelectric nanogenerators on plastic substrates as flexible power sources for nanodevices
    • Gao P X, Song J, Liu J and Wang Z L 2007 Nanowire piezoelectric nanogenerators on plastic substrates as flexible power sources for nanodevices Adv. Mater. 19 67-72
    • (2007) Adv. Mater. , vol.19 , pp. 67-72
    • Gao, P.X.1    Song, J.2    Liu, J.3    Wang, Z.L.4
  • 7
    • 33748313341 scopus 로고    scopus 로고
    • Piezoelectric and semiconducting coupled power generating process of a single ZnO belt/wire. a technology for harvesting electricity from the environment
    • Song J, Zhou J andWang Z L 2006 Piezoelectric and semiconducting coupled power generating process of a single ZnO belt/wire. a technology for harvesting electricity from the environment Nano Lett. 6 1656-62
    • (2006) Nano Lett. , vol.6 , pp. 1656-1662
    • Song, J.1    Zhou, J.2    Wang, Z.L.3
  • 8
    • 33846990410 scopus 로고    scopus 로고
    • Generation of electricity in GaN nanorods induced by the piezoelectric effect
    • Su W S, Chen Y F, Hsiao C L and Tu L W 2007 Generation of electricity in GaN nanorods induced by the piezoelectric effect Appl. Phys. Lett. 90 063110
    • (2007) Appl. Phys. Lett. , vol.90 , pp. 063110
    • Su, W.S.1    Chen, Y.F.2    Hsiao, C.L.3    Tu, L.W.4
  • 9
    • 57649125467 scopus 로고    scopus 로고
    • Correlated piezoelectric and electrical properties in individual ZnO nanorods
    • Scrymgeour D A and Hsu J W P 2008 Correlated piezoelectric and electrical properties in individual ZnO nanorods Nano Lett. 8 2204-9
    • (2008) Nano Lett. , vol.8 , pp. 2204-2209
    • Scrymgeour, D.A.1    Hsu, J.W.P.2
  • 11
    • 2342507053 scopus 로고    scopus 로고
    • Piezoelectric characterization of individual zinc oxide nanobelt probed by piezoresponse force microscope
    • Zhao M-H, Wang Z-L and Mao S X 2004 Piezoelectric characterization of individual zinc oxide nanobelt probed by piezoresponse force microscope Nano Lett. 4 587-90
    • (2004) Nano Lett. , vol.4 , pp. 587-590
    • Zhao, M.-H.1    Wang, Z.-L.2    Mao, S.X.3
  • 12
    • 33751560644 scopus 로고    scopus 로고
    • Piezoelectricity in ZnO nanowires: A first-principles study
    • Xiang H J, Yang J, Hou J G and Zhu Q 2006 Piezoelectricity in ZnO nanowires: a first-principles study Appl. Phys. Lett. 89 223111
    • (2006) Appl. Phys. Lett. , vol.89 , pp. 223111
    • Xiang, H.J.1    Yang, J.2    Hou, J.G.3    Zhu, Q.4
  • 13
    • 33846461665 scopus 로고    scopus 로고
    • Size-dependent piezoelectricity in zinc oxide nanofilms from first-principles calculations
    • Li C, Guo W, Kong Y and Gao H 2007 Size-dependent piezoelectricity in zinc oxide nanofilms from first-principles calculations Appl. Phys. Lett. 90 033108
    • (2007) Appl. Phys. Lett. , vol.90 , pp. 033108
    • Li, C.1    Guo, W.2    Kong, Y.3    Gao, H.4
  • 16
    • 58149290194 scopus 로고    scopus 로고
    • Elasticity size effects in ZnO nanowires-a combined experimental- computational approach
    • Agrawal R, Peng B, Gdoutos E and Espinosa H D 2008 Elasticity size effects in ZnO nanowires-a combined experimental-computational approach Nano Lett. 8 3668-74
    • (2008) Nano Lett. , vol.8 , pp. 3668-3674
    • Agrawal, R.1    Peng, B.2    Gdoutos, E.3    Espinosa, H.D.4
  • 17
    • 3543103556 scopus 로고
    • Theory of polarization of crystalline solids
    • King-Smith R D and Vanderbilt D 1993 Theory of polarization of crystalline solids Phys. Rev. B 47 1651-4
    • (1993) Phys. Rev. B , vol.47 , pp. 1651-1654
    • King-Smith, R.D.1    Vanderbilt, D.2
  • 18
    • 12044256522 scopus 로고
    • Macroscopic polarization in crystalline dielectrics: The geometric phase approach
    • Resta R 1994 Macroscopic polarization in crystalline dielectrics: the geometric phase approach Rev. Mod. Phys. 66 899-915
    • (1994) Rev. Mod. Phys. , vol.66 , pp. 899-915
    • Resta, R.1
  • 19
    • 33747073706 scopus 로고
    • Electric polarization as a bulk quantity and its relation to surface charge
    • Vanderbilt D and King-Smith R D 1993 Electric polarization as a bulk quantity and its relation to surface charge Phys. Rev. B 48 4442-55
    • (1993) Phys. Rev. B , vol.48 , pp. 4442-4455
    • Vanderbilt, D.1    King-Smith, R.D.2
  • 20
    • 33646667897 scopus 로고
    • Ab initio study of piezoelectricity and spontaneous polarization in ZnO
    • Dal Corso A, PosternakM, Resta R and Baldereschi A 1994 Ab initio study of piezoelectricity and spontaneous polarization in ZnO Phys. Rev. B 50 10715-21
    • (1994) Phys. Rev. B , vol.50 , pp. 10715-10721
    • Dal Corso, A.1    Posternakm Resta, R.2    Baldereschi, A.3
  • 21
    • 0642275027 scopus 로고    scopus 로고
    • Spontaneous polarization and piezoelectric constants of III-V nitrides
    • Bernardini F, Fiorentini V and Vanderbilt D 1997 Spontaneous polarization and piezoelectric constants of III-V nitrides Phys. Rev. B 56 10024-7
    • (1997) Phys. Rev. B , vol.56 , pp. 10024-10027
    • Bernardini, F.1    Fiorentini, V.2    Vanderbilt, D.3
  • 22
    • 0034289756 scopus 로고    scopus 로고
    • First-principles study of strain-electronic interplay in ZnO: Stress and temperature dependence of the piezoelectric constants
    • Hill N A and Waghmare U 2000 First-principles study of strain-electronic interplay in ZnO: stress and temperature dependence of the piezoelectric constants Phys. Rev. B 62 8802-10
    • (2000) Phys. Rev. B , vol.62 , pp. 8802-8810
    • Hill, N.A.1    Waghmare, U.2
  • 23
    • 17044391886 scopus 로고    scopus 로고
    • Performance of various hamiltonians in the study of the piezoelectric properties of crystalline compounds: The case of BeO and ZnO
    • Noel Y, Llunell M, Orlando R, D'Arco P and Dovesi R 2002 Performance of various hamiltonians in the study of the piezoelectric properties of crystalline compounds: the case of BeO and ZnO Phys. Rev. B 66 214107
    • (2002) Phys. Rev. B , vol.66 , pp. 214107
    • Noel, Y.1    Llunell, M.2    Orlando, R.3    D'arco, P.4    Dovesi, R.5
  • 24
    • 0036147401 scopus 로고    scopus 로고
    • Polarization properties of ZnO and BeO: An ab initio study through the berry phase and wannier functions approaches
    • Noel Y, Zicovich-Wilson C M, Civalleri B, D'Arco P and Dovesi R 2002 Polarization properties of ZnO and BeO: an ab initio study through the berry phase and wannier functions approaches Phys. Rev. B 65 014111
    • (2002) Phys. Rev. B , vol.65 , pp. 014111
    • Noel, Y.1    Zicovich-Wilson, C.M.2    Civalleri, B.3    D'arco, P.4    Dovesi, R.5
  • 25
    • 0142011690 scopus 로고    scopus 로고
    • Full piezoelectric tensors of wurtzite and zinc blende ZnO and ZnS by first-principles calculations
    • Catti M, Noel Y and Dovesi R 2003 Full piezoelectric tensors of wurtzite and zinc blende ZnO and ZnS by first-principles calculations J. Phys. Chem. Solids 64 2183-90
    • (2003) J. Phys. Chem. Solids , vol.64 , pp. 2183-2190
    • Catti, M.1    Noel, Y.2    Dovesi, R.3
  • 26
    • 33846420647 scopus 로고    scopus 로고
    • Deformation of top-down and bottom-up silver nanowires
    • Leach A M, McDowell M and Gall K 2007 Deformation of top-down and bottom-up silver nanowires Adv. Funct. Mater. 17 43-53
    • (2007) Adv. Funct. Mater. , vol.17 , pp. 43-53
    • Leach, A.M.1    McDowell, M.2    Gall, K.3
  • 27
    • 0038082997 scopus 로고    scopus 로고
    • Multimillion atom molecular dynamics simulations of nanostructures on parallel computers
    • Vashishta P, Kalia R K and Nakano A 2003 Multimillion atom molecular dynamics simulations of nanostructures on parallel computers J. Nanoparticle Res. 5 119-35
    • (2003) J. Nanoparticle Res. , vol.5 , pp. 119-135
    • Vashishta, P.1    Kalia, R.K.2    Nakano, A.3
  • 29
    • 0001538909 scopus 로고
    • Canonical dynamics: Equilibrium phase-space distributions
    • Hoover W G 1985 Canonical dynamics: equilibrium phase-space distributions Phys. Rev. A 31 1695-7
    • (1985) Phys. Rev. A , vol.31 , pp. 1695-1697
    • Hoover, W.G.1
  • 30
    • 34548433670 scopus 로고
    • Theory of the dielectric constants of alkali halide crystals
    • Dick B G and Overhauser A W 1958 Theory of the dielectric constants of alkali halide crystals Phys. Rev. 112 90-103
    • (1958) Phys. Rev. , vol.112 , pp. 90-103
    • Dick, B.G.1    Overhauser, A.W.2
  • 33
    • 41549112911 scopus 로고    scopus 로고
    • Enhanced size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect
    • Majdoub M S, Sharma P and Cagin T 2008 Enhanced size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect Phys. Rev. B 77 125424
    • (2008) Phys. Rev. B , vol.77 , pp. 125424
    • Majdoub, M.S.1    Sharma, P.2    Cagin, T.3
  • 34
    • 70249094262 scopus 로고    scopus 로고
    • Atomistic determination of flexoelectric properties of crystalline dielectrics
    • Maranganti R and Sharma P 2009 Atomistic determination of flexoelectric properties of crystalline dielectrics Phys. Rev. B 80 054109
    • (2009) Phys. Rev. B , vol.80 , pp. 054109
    • Maranganti, R.1    Sharma, P.2
  • 36
    • 44949088451 scopus 로고    scopus 로고
    • A study of the size-dependent elastic properties of ZnO nanowires and nanotubes
    • Hu J, Liu X W and Pan B C 2008 A study of the size-dependent elastic properties of ZnO nanowires and nanotubes Nanotechnology 19 285710
    • (2008) Nanotechnology , vol.19 , pp. 285710
    • Hu, J.1    Liu, X.W.2    Pan, B.C.3
  • 37
    • 26444559056 scopus 로고    scopus 로고
    • Structural and thermodynamic properties of GaN at high pressures and high temperatures
    • Sun X, Chen Q, Chu Y and Wang C 2005 Structural and thermodynamic properties of GaN at high pressures and high temperatures Physica B 368 243-50
    • (2005) Physica B , vol.368 , pp. 243-250
    • Sun, X.1    Chen, Q.2    Chu, Y.3    Wang, C.4
  • 38
    • 0000377991 scopus 로고    scopus 로고
    • An interatomic potential study of the properties of gallium nitride
    • Zapol P, Pandey R and Gale J D 1997 An interatomic potential study of the properties of gallium nitride J. Phys.: Condens. Matter 9 9517-25
    • (1997) J. Phys.: Condens. Matter , vol.9 , pp. 9517-9525
    • Zapol, P.1    Pandey, R.2    Gale, J.D.3
  • 39
    • 27944483641 scopus 로고    scopus 로고
    • Orientation and size dependence of the elastic properties of zinc oxide nanobelts
    • Kulkarni A J, Zhou M and Ke F J 2005 Orientation and size dependence of the elastic properties of zinc oxide nanobelts Nanotechnology 16 2749-56
    • (2005) Nanotechnology , vol.16 , pp. 2749-2756
    • Kulkarni, A.J.1    Zhou, M.2    Ke, F.J.3
  • 41
    • 38849100858 scopus 로고    scopus 로고
    • Polar semiconductor ZnO under inplane tensile strain
    • Alahmed Z and Fu H 2008 Polar semiconductor ZnO under inplane tensile strain Phys. Rev. B 77 045213
    • (2008) Phys. Rev. B , vol.77 , pp. 045213
    • Alahmed, Z.1    Fu, H.2
  • 42
    • 60449089919 scopus 로고    scopus 로고
    • Surface effect on the size- and orientation-dependent elastic properties of single-crystal ZnO nanostructures
    • Hu J and Pan B C 2009 Surface effect on the size- and orientation-dependent elastic properties of single-crystal ZnO nanostructures J. Appl. Phys. 105 034302
    • (2009) J. Appl. Phys. , vol.105 , pp. 034302
    • Hu, J.1    Pan, B.C.2
  • 43
    • 0001419797 scopus 로고    scopus 로고
    • Berry-phase theory of proper piezoelectric response
    • Vanderbilt D 2000 Berry-phase theory of proper piezoelectric response J. Phys. Chem. Solids 61 147-51
    • (2000) J. Phys. Chem. Solids , vol.61 , pp. 147-151
    • Vanderbilt, D.1
  • 45
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
    • Hess B, Kutzner C, van der Spoel D and Lindahl E 2008 GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 4 435-47
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 46
    • 0035810439 scopus 로고    scopus 로고
    • Molecular dynamics simulations of water with novel shell-model potentials
    • van Maaren P J and van der Spoel D 2001 molecular dynamics simulations of water with novel shell-model potentials J. Phys. Chem. B 105 2618-26
    • (2001) J. Phys. Chem. B , vol.105 , pp. 2618-2626
    • Van Maaren, P.J.1    Van Der Spoel, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.