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Volumn 117, Issue 24, 2013, Pages 12864-12872

Beryllium oxide nanotubes and their connection to the flat monolayer

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO QUANTUM CHEMICAL METHODS; ELASTIC AND PIEZOELECTRIC CONSTANTS; NUCLEAR CONTRIBUTION; OSCILLATOR STRENGTHS; PIEZOELECTRIC CONSTANT; POLARIZABILITY TENSOR; VIBRATION FREQUENCY; VIBRATIONAL CONTRIBUTIONS;

EID: 84879430961     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp402340z     Document Type: Article
Times cited : (73)

References (71)
  • 1
    • 0342819025 scopus 로고
    • Helical Microtubules of Graphitic Carbon
    • Ijima, S. Helical Microtubules of Graphitic Carbon Nature 1991, 354, 56-58
    • (1991) Nature , vol.354 , pp. 56-58
    • Ijima, S.1
  • 2
    • 34547144691 scopus 로고    scopus 로고
    • Vibrational Properties of Single-Wall Carbon Nanotubes: A First-Principles Study
    • Kahaly, M. U.; Waghmare, U. V. Vibrational Properties of Single-Wall Carbon Nanotubes: A First-Principles Study J. Nanosci. Nanotechnol. 2007, 7, 1787-1792
    • (2007) J. Nanosci. Nanotechnol. , vol.7 , pp. 1787-1792
    • Kahaly, M.U.1    Waghmare, U.V.2
  • 4
    • 57249100462 scopus 로고    scopus 로고
    • Non-carbon Nanotubes: Synthesis and Simulation
    • Ivanovskii, A. L. Non-carbon Nanotubes: Synthesis and Simulation Russ. Chem. Rev. 2002, 71, 203
    • (2002) Russ. Chem. Rev. , vol.71 , pp. 203
    • Ivanovskii, A.L.1
  • 7
    • 33744789387 scopus 로고    scopus 로고
    • Quasi-one-dimensional Metal Oxide Materials: Synthesis, Properties and Applications
    • Lu, J. G.; Chang, P.; Fan, Z. Quasi-one-dimensional Metal Oxide Materials: Synthesis, Properties and Applications Mater. Sci. Eng., R 2006, 52, 49-91
    • (2006) Mater. Sci. Eng., R , vol.52 , pp. 49-91
    • Lu, J.G.1    Chang, P.2    Fan, Z.3
  • 8
    • 56349159501 scopus 로고    scopus 로고
    • Quasi-one Dimensional Metal Oxide Semiconductors: Preparation, Characterization and Application as Chemical Sensors
    • Comini, E.; Baratto, C.; Faglia, G.; Ferroni, M.; Vomiero, A.; Sberveglieri, G. Quasi-one Dimensional Metal Oxide Semiconductors: Preparation, Characterization and Application as Chemical Sensors Prog. Mater. Sci. 2009, 54, 1-67
    • (2009) Prog. Mater. Sci. , vol.54 , pp. 1-67
    • Comini, E.1    Baratto, C.2    Faglia, G.3    Ferroni, M.4    Vomiero, A.5    Sberveglieri, G.6
  • 9
    • 0001613294 scopus 로고
    • Ab initio Hartree-Fock Study of Solid Beryllium Oxide: Structure and Electronic Properties
    • Lichanot, A.; Chaillet, M.; Larrieu, C.; Dovesi, R.; Pisani, C. Ab initio Hartree-Fock Study of Solid Beryllium Oxide: Structure and Electronic Properties Chem. Phys. 1992, 164, 383-394
    • (1992) Chem. Phys. , vol.164 , pp. 383-394
    • Lichanot, A.1    Chaillet, M.2    Larrieu, C.3    Dovesi, R.4    Pisani, C.5
  • 11
    • 84980122606 scopus 로고
    • Thermal Conductivity: X, Data for Several Pure Oxide Materials Corrected to Zero Porosity
    • Kingery, W. D.; Franch, J.; Coble, R. L.; Vasilos, T. Thermal Conductivity: X, Data for Several Pure Oxide Materials Corrected to Zero Porosity J. Am. Ceram. Soc. 1954, 37, 107-110
    • (1954) J. Am. Ceram. Soc. , vol.37 , pp. 107-110
    • Kingery, W.D.1    Franch, J.2    Coble, R.L.3    Vasilos, T.4
  • 15
    • 34547702682 scopus 로고    scopus 로고
    • Structural, Elastic, and Electronic Properties of SiC, BN, and BeO Nanotubes
    • Baumeier, B.; Kruger, P.; Pollmann, J. Structural, Elastic, and Electronic Properties of SiC, BN, and BeO Nanotubes Phys. Rev. B 2007, 76, 085407
    • (2007) Phys. Rev. B , vol.76 , pp. 085407
    • Baumeier, B.1    Kruger, P.2    Pollmann, J.3
  • 16
    • 52949093873 scopus 로고    scopus 로고
    • Electronic Structure and Magnetism in BeO Nanotubes Induced by Boron, Carbon and Nitrogen Doping, and Beryllium and Oxygen Vacancies Inside Tube Walls
    • Gorbunova, M. A.; Shein, I. R.; Makurin, Y. N.; Ivanovskaya, V. V.; Kijko, V. S.; Ivanovskii, A. L. Electronic Structure and Magnetism in BeO Nanotubes Induced by Boron, Carbon and Nitrogen Doping, and Beryllium and Oxygen Vacancies Inside Tube Walls Physica E 2008, 41, 164-168
    • (2008) Physica e , vol.41 , pp. 164-168
    • Gorbunova, M.A.1    Shein, I.R.2    Makurin, Y.N.3    Ivanovskaya, V.V.4    Kijko, V.S.5    Ivanovskii, A.L.6
  • 17
    • 84857366505 scopus 로고    scopus 로고
    • A Computational NMR Study of Nitrogen Substitutional Impurity in the Armchair BeO Nanotube
    • Roozbahani, G. M.; Seif, A. A Computational NMR Study of Nitrogen Substitutional Impurity in the Armchair BeO Nanotube Superlattices Microstruct. 2012, 51, 363-371
    • (2012) Superlattices Microstruct. , vol.51 , pp. 363-371
    • Roozbahani, G.M.1    Seif, A.2
  • 18
    • 84872120667 scopus 로고    scopus 로고
    • Structural, Electronic and Magnetic Properties of Linear Monoatomic Chains Adsorption on Beryllium Oxide Nanotube: First-principle Study
    • Ma, L.-C.; Zhao, H.-S.; Yan, W.-J. Structural, Electronic and Magnetic Properties of Linear Monoatomic Chains Adsorption on Beryllium Oxide Nanotube: First-principle Study J. Magn. Magn. Mater. 2013, 330, 174-180
    • (2013) J. Magn. Magn. Mater. , vol.330 , pp. 174-180
    • Ma, L.-C.1    Zhao, H.-S.2    Yan, W.-J.3
  • 20
    • 0000189651 scopus 로고
    • Density Functional Theochemistry. III the Role of Exact Exchange
    • Becke, A. D. Density Functional Theochemistry. III The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 21
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 22
    • 76249127067 scopus 로고    scopus 로고
    • On the Use of Symmetry in the Ab initio Quantum Mechanical Simulation of Nanotubes and Related Materials
    • Noël, Y.; D'Arco, P.; Demichelis, R.; Zicovich-Wilson, C.; Dovesi, R. On the Use of Symmetry in the Ab initio Quantum Mechanical Simulation of Nanotubes and Related Materials J. Comput. Chem. 2010, 31, 855-862
    • (2010) J. Comput. Chem. , vol.31 , pp. 855-862
    • Noël, Y.1    D'Arco, P.2    Demichelis, R.3    Zicovich-Wilson, C.4    Dovesi, R.5
  • 23
    • 79955923585 scopus 로고    scopus 로고
    • Properties of Carbon Nanotubes: An Ab initio Study Using Large Gaussian Basis Sets and Various DFT Functionals
    • Demichelis, R.; Noël, Y.; D'Arco, P.; Rérat, M.; Zicovich-Wilson, C.; Dovesi, R. Properties of Carbon Nanotubes: An Ab initio Study Using Large Gaussian Basis Sets and Various DFT Functionals J. Phys. Chem. C 2011, 115, 8876-8885
    • (2011) J. Phys. Chem. C , vol.115 , pp. 8876-8885
    • Demichelis, R.1    Noël, Y.2    D'Arco, P.3    Rérat, M.4    Zicovich-Wilson, C.5    Dovesi, R.6
  • 24
    • 84873690854 scopus 로고    scopus 로고
    • The Vibration Properties of the (n,0) Boron Nitride Nanotubes from Ab initio Quantum Chemical Simulations
    • Erba, A.; Ferrabone, M.; Baima, J.; Orlando, R.; Rérat, M.; Dovesi, R. The Vibration Properties of the (n,0) Boron Nitride Nanotubes from Ab initio Quantum Chemical Simulations J. Chem. Phys. 2013, 138, 054906
    • (2013) J. Chem. Phys. , vol.138 , pp. 054906
    • Erba, A.1    Ferrabone, M.2    Baima, J.3    Orlando, R.4    Rérat, M.5    Dovesi, R.6
  • 25
    • 80855140389 scopus 로고    scopus 로고
    • The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An Ab initio Approach through the Coupled Perturbed Kohn-Sham Scheme
    • Orlando, R.; Bast, R.; Ruud, K.; Ekström, U.; Ferrabone, M.; Kirtman, B.; Dovesi, R. The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An Ab initio Approach through the Coupled Perturbed Kohn-Sham Scheme J. Phys. Chem. A 2011, 115, 12631-12637
    • (2011) J. Phys. Chem. A , vol.115 , pp. 12631-12637
    • Orlando, R.1    Bast, R.2    Ruud, K.3    Ekström, U.4    Ferrabone, M.5    Kirtman, B.6    Dovesi, R.7
  • 26
    • 79961178333 scopus 로고    scopus 로고
    • Polarizability and Hyperpolarizability of BN Zigzag Nanotubes Calculated by the Coupled Perturbed Kohn-Sham Scheme
    • Ferrabone, M.; Kirtman, B.; Rérat, M.; Orlando, R.; Dovesi, R. Polarizability and Hyperpolarizability of BN Zigzag Nanotubes Calculated by the Coupled Perturbed Kohn-Sham Scheme Phys. Rev. B 2011, 83, 235421
    • (2011) Phys. Rev. B , vol.83 , pp. 235421
    • Ferrabone, M.1    Kirtman, B.2    Rérat, M.3    Orlando, R.4    Dovesi, R.5
  • 27
    • 84858446401 scopus 로고    scopus 로고
    • Vibrational Contribution to Static and Dynamic (Hyper)Polarizabilities of Zigzag BN Nanotubes Calculated by the Finite Field Nuclear Relaxation Method
    • Ferrabone, M.; Kirtman, B.; Lacivita, V.; Rérat, M.; Orlando, R.; Dovesi, R. Vibrational Contribution to Static and Dynamic (Hyper) Polarizabilities of Zigzag BN Nanotubes Calculated by the Finite Field Nuclear Relaxation Method Int. J. Quantum Chem. 2012, 112, 2160-2170
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 2160-2170
    • Ferrabone, M.1    Kirtman, B.2    Lacivita, V.3    Rérat, M.4    Orlando, R.5    Dovesi, R.6
  • 28
    • 84879183057 scopus 로고    scopus 로고
    • Zinc Oxide Nanotubes: An Ab initio Investigation of their Structural, Vibrational, Elastic and Dielectric Properties
    • Lacivita, V.; Erba, A.; Noël, Y.; Orlando, R.; D'Arco, P.; Dovesi, R. Zinc Oxide Nanotubes: An Ab initio Investigation of their Structural, Vibrational, Elastic and Dielectric Properties J. Chem. Phys. 2013, 138, 214706
    • (2013) J. Chem. Phys. , vol.138 , pp. 214706
    • Lacivita, V.1    Erba, A.2    Noël, Y.3    Orlando, R.4    D'Arco, P.5    Dovesi, R.6
  • 29
    • 78649259834 scopus 로고    scopus 로고
    • Structure and Energetics of Imogolite: A Quantum Mechanical Ab initio Study with B3LYP Hybrid Functional
    • Demichelis, R.; Noël, Y.; D'Arco, Ph.; Maschio, L.; Orlando, R.; Dovesi, R. Structure and Energetics of Imogolite: A Quantum Mechanical Ab initio Study with B3LYP Hybrid Functional J. Mater. Chem. 2010, 20, 10417-10425
    • (2010) J. Mater. Chem. , vol.20 , pp. 10417-10425
    • Demichelis, R.1    Noël, Y.2    D'Arco, Ph.3    Maschio, L.4    Orlando, R.5    Dovesi, R.6
  • 30
    • 71549164640 scopus 로고    scopus 로고
    • Single-layered Chrysotile Nanotubes: A Quantum Mechanical Ab initio Simulation
    • D'Arco, P.; Noël, Y.; Demichelis, R.; Dovesi, R. Single-layered Chrysotile Nanotubes: A Quantum Mechanical Ab initio Simulation J. Chem. Phys. 2009, 131, 204701
    • (2009) J. Chem. Phys. , vol.131 , pp. 204701
    • D'Arco, P.1    Noël, Y.2    Demichelis, R.3    Dovesi, R.4
  • 33
    • 84879455428 scopus 로고    scopus 로고
    • http://www.crystal.unito.it/Basis-Sets/oxygen.html
    • The basis set can be found at http://www.crystal.unito.it/Basis-Sets/ beryllium.html, http://www.crystal.unito.it/Basis-Sets/oxygen.html.
  • 34
    • 0035370697 scopus 로고    scopus 로고
    • Implementation of Analytical Hartree-Fock Gradients for Periodic Systems
    • Doll, K. Implementation of Analytical Hartree-Fock Gradients for Periodic Systems Comput. Phys. Commun. 2001, 137, 74-88
    • (2001) Comput. Phys. Commun. , vol.137 , pp. 74-88
    • Doll, K.1
  • 35
  • 36
    • 0001027957 scopus 로고    scopus 로고
    • Hartree-Fock Geometry Optimization of Periodic Systems with the CRYSTAL Code
    • Civalleri, B.; D'Arco, P.; Orlando, R.; Saunders, V. R.; Dovesi, R. Hartree-Fock Geometry Optimization of Periodic Systems with the CRYSTAL Code Chem. Phys. Lett. 2001, 348, 131-138
    • (2001) Chem. Phys. Lett. , vol.348 , pp. 131-138
    • Civalleri, B.1    D'Arco, P.2    Orlando, R.3    Saunders, V.R.4    Dovesi, R.5
  • 37
    • 77958398767 scopus 로고
    • The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations
    • Broyden, C. G. The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations J. Inst. Math. Its Appl. 1970, 6, 76-90
    • (1970) J. Inst. Math. Its Appl. , vol.6 , pp. 76-90
    • Broyden, C.G.1
  • 38
    • 0014825610 scopus 로고
    • A New Approach to Variable Metric Algorithms
    • Fletcher, R. A New Approach to Variable Metric Algorithms Comput. J. 1970, 13, 317-322
    • (1970) Comput. J. , vol.13 , pp. 317-322
    • Fletcher, R.1
  • 39
    • 84966251980 scopus 로고
    • Family of Variable-Metric Methods Derived by Variational Means
    • Goldfarb, D. A Family of Variable-Metric Methods Derived by Variational Means Math. Comput. 1970, 24, 23-26
    • (1970) Math. Comput. , vol.24 , pp. 23-26
    • Goldfarb, D.A.1
  • 40
    • 84968497764 scopus 로고
    • Conditioning of Quasi-Newton Methods for Function Minimization
    • Shanno, D. F. Conditioning of Quasi-Newton Methods for Function Minimization Math. Comput. 1970, 24, 647-656
    • (1970) Math. Comput. , vol.24 , pp. 647-656
    • Shanno, D.F.1
  • 41
    • 1942454763 scopus 로고    scopus 로고
    • The Calculation of the Vibrational Frequencies of Crystalline Compounds and its Implementation in the CRYSTAL Code
    • Pascale, F.; Zicovich-Wilson, C. M.; Gejo, F. L.; Civalleri, B.; Orlando, R.; Dovesi, R. The Calculation of the Vibrational Frequencies of Crystalline Compounds and its Implementation in the CRYSTAL Code J. Comput. Chem. 2004, 25, 888-897
    • (2004) J. Comput. Chem. , vol.25 , pp. 888-897
    • Pascale, F.1    Zicovich-Wilson, C.M.2    Gejo, F.L.3    Civalleri, B.4    Orlando, R.5    Dovesi, R.6
  • 42
    • 8344242162 scopus 로고    scopus 로고
    • The Calculation of the Vibration Frequencies of α -Quartz: The Effect of Hamiltonian and Basis Set
    • Zicovich-Wilson, C. M.; Pascale, F.; Roetti, C.; Saunders, V. R.; Orlando, R.; Dovesi, R. The Calculation of the Vibration Frequencies of α -Quartz: The Effect of Hamiltonian and Basis Set J. Comput. Chem. 2004, 25, 1873-1881
    • (2004) J. Comput. Chem. , vol.25 , pp. 1873-1881
    • Zicovich-Wilson, C.M.1    Pascale, F.2    Roetti, C.3    Saunders, V.R.4    Orlando, R.5    Dovesi, R.6
  • 45
    • 60749105771 scopus 로고    scopus 로고
    • Periodic Density Functional Theory and Local-MP2 Study of the Librational Modes of Ice XI
    • Erba, A.; Casassa, S.; Dovesi, R.; Maschio, L.; Pisani, C. Periodic Density Functional Theory and Local-MP2 Study of the Librational Modes of Ice XI J. Chem. Phys. 2009, 130, 074505
    • (2009) J. Chem. Phys. , vol.130 , pp. 074505
    • Erba, A.1    Casassa, S.2    Dovesi, R.3    Maschio, L.4    Pisani, C.5
  • 47
    • 11644290052 scopus 로고
    • Ab Initio Calculations of Vibrational Spectra and Their Use in the Identification of Unusual Molecules
    • Hess, B. A.; Schaad, L. J.; Carsky, P.; Zahradnik, R. Ab Initio Calculations of Vibrational Spectra and Their Use in the Identification of Unusual Molecules Chem. Rev. 1986, 86, 709-730
    • (1986) Chem. Rev. , vol.86 , pp. 709-730
    • Hess, B.A.1    Schaad, L.J.2    Carsky, P.3    Zahradnik, R.4
  • 49
    • 0036147401 scopus 로고    scopus 로고
    • Polarization Properties of ZnO and BeO: An Ab initio Study through the Berry Phase and Wannier Functions Approaches
    • Noël, Y.; Zicovich-Wilson, C. M.; Civalleri, B.; D'Arco, P.; Dovesi, R. Polarization Properties of ZnO and BeO: An Ab initio Study through the Berry Phase and Wannier Functions Approaches Phys. Rev. B 2002, 65, 014111
    • (2002) Phys. Rev. B , vol.65 , pp. 014111
    • Noël, Y.1    Zicovich-Wilson, C.M.2    Civalleri, B.3    D'Arco, P.4    Dovesi, R.5
  • 52
    • 0034228622 scopus 로고    scopus 로고
    • Extension of the Genkin and Mednis Treatment for Dynamic Polarizabilities and Hyperpolarizabilities of Infinite Periodic Systems. I. Coupled Perturbed Hartree-Fock Theory
    • Kirtman, B.; Gu, F. L.; Bishop, D. M. Extension of the Genkin and Mednis Treatment for Dynamic Polarizabilities and Hyperpolarizabilities of Infinite Periodic Systems. I. Coupled Perturbed Hartree-Fock Theory J. Chem. Phys. 2000, 113, 1294-1309
    • (2000) J. Chem. Phys. , vol.113 , pp. 1294-1309
    • Kirtman, B.1    Gu, F.L.2    Bishop, D.M.3
  • 53
    • 44449178442 scopus 로고    scopus 로고
    • The Calculation of Static Polarizabilities of Periodic Compounds. The Implementation in the CRYSTAL Code for 1D, 2D and 3D Systems
    • Ferrero, M.; Rérat, M.; Orlando, R.; Dovesi, R. The Calculation of Static Polarizabilities of Periodic Compounds. The Implementation in the CRYSTAL Code for 1D, 2D and 3D Systems J. Comput. Chem. 2008, 29, 1450-1459
    • (2008) J. Comput. Chem. , vol.29 , pp. 1450-1459
    • Ferrero, M.1    Rérat, M.2    Orlando, R.3    Dovesi, R.4
  • 54
    • 38049022001 scopus 로고    scopus 로고
    • Coupled Perturbed Hartree-Fock for Periodic Systems: The Role of Symmetry and Related Computational Aspects
    • Ferrero, M.; Rérat, M.; Orlando, R.; Dovesi, R. Coupled Perturbed Hartree-Fock for Periodic Systems: The Role of Symmetry and Related Computational Aspects J. Chem. Phys. 2008, 128, 014110
    • (2008) J. Chem. Phys. , vol.128 , pp. 014110
    • Ferrero, M.1    Rérat, M.2    Orlando, R.3    Dovesi, R.4
  • 56
    • 80155148062 scopus 로고    scopus 로고
    • Electric Field Polarization in Conventional Density Functional Theory: From Quasilinear to Two-dimensional and Three-dimensional Extended Systems
    • Kirtman, B.; Lacivita, V.; Dovesi, R.; Reis, H. Electric Field Polarization in Conventional Density Functional Theory: From Quasilinear to Two-dimensional and Three-dimensional Extended Systems J. Chem. Phys. 2011, 135, 154101
    • (2011) J. Chem. Phys. , vol.135 , pp. 154101
    • Kirtman, B.1    Lacivita, V.2    Dovesi, R.3    Reis, H.4
  • 57
    • 69349101370 scopus 로고    scopus 로고
    • Ab initio Calculation of Elastic Constants of Crystalline Systems with the CRYSTAL Code
    • Perger, W. F.; Criswell, J.; Civalleri, B.; Dovesi, R. Ab initio Calculation of Elastic Constants of Crystalline Systems with the CRYSTAL Code Comput. Phys. Commun. 2009, 180, 1753-1759
    • (2009) Comput. Phys. Commun. , vol.180 , pp. 1753-1759
    • Perger, W.F.1    Criswell, J.2    Civalleri, B.3    Dovesi, R.4
  • 59
    • 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
    • Noël, Y.; Llunell, M.; Orlando, R.; D'Arco, P.; Dovesi, R. Performance of Various Hamiltonians In the Study of the Piezoelectric Properties of Crystalline Compounds: The Case of BeO and ZnO Phys. Rev. B 2002, 66, 214107
    • (2002) Phys. Rev. B , vol.66 , pp. 214107
    • Noël, Y.1    Llunell, M.2    Orlando, R.3    D'Arco, P.4    Dovesi, R.5
  • 60
    • 0142011690 scopus 로고    scopus 로고
    • Full Piezoelectric Tensors of Wurtzite and Zinc Blende ZnO and ZnS by First-principles Calculations
    • Catti, M.; Noël, Y.; Dovesi, R. Full Piezoelectric Tensors of Wurtzite and Zinc Blende ZnO and ZnS by First-principles Calculations J. Phys. Chem. Solids 2003, 64, 2183
    • (2003) J. Phys. Chem. Solids , vol.64 , pp. 2183
    • Catti, M.1    Noël, Y.2    Dovesi, R.3
  • 61
    • 79251509890 scopus 로고    scopus 로고
    • J-ICE: A New Jmol Interface for Handling and Visualizing Crystallographic and Electronic Properties
    • Canepa, P.; Hanson, R.; Ugliengo, P.; Alfredsson, M. J-ICE: A New Jmol Interface for Handling and Visualizing Crystallographic and Electronic Properties J. Appl. Crystallogr. 2011, 44, 225-229
    • (2011) J. Appl. Crystallogr. , vol.44 , pp. 225-229
    • Canepa, P.1    Hanson, R.2    Ugliengo, P.3    Alfredsson, M.4
  • 63
    • 0038030820 scopus 로고
    • Why are Carbon Filaments Tubular?
    • Tibbetts, G. G. Why are Carbon Filaments Tubular? J. Cryst. Growth 1984, 66, 632-638
    • (1984) J. Cryst. Growth , vol.66 , pp. 632-638
    • Tibbetts, G.G.1
  • 67
    • 34347369543 scopus 로고    scopus 로고
    • Static Dielectric Response and Born Effective Charge of BN Nanotubes from Ab initio Finite Electric Field Calculations
    • Guo, G. Y.; Ishibashi, S.; Tamura, T.; Terakura, K. Static Dielectric Response and Born Effective Charge of BN Nanotubes from Ab initio Finite Electric Field Calculations Phys. Rev. B 2007, 75, 245403
    • (2007) Phys. Rev. B , vol.75 , pp. 245403
    • Guo, G.Y.1    Ishibashi, S.2    Tamura, T.3    Terakura, K.4
  • 69
    • 33646667897 scopus 로고
    • Ab initio Study of Piezoelectricity and Spontaneous Polarization in ZnO
    • Dal Corso, A.; Posternak, M.; Resta, R.; Baldereschi, A. Ab initio Study of Piezoelectricity and Spontaneous Polarization in ZnO Phys. Rev. B 1994, 50, 10715
    • (1994) Phys. Rev. B , vol.50 , pp. 10715
    • Dal Corso, A.1    Posternak, M.2    Resta, R.3    Baldereschi, A.4
  • 71
    • 0037116119 scopus 로고    scopus 로고
    • Vibrational Properties of Single-wall Nanotubes and Monolayers of Hexagonal BN
    • Sánchez-Portal, D.; Hernández, E. Vibrational Properties of Single-wall Nanotubes and Monolayers of Hexagonal BN Phys. Rev. B 2002, 66, 235415
    • (2002) Phys. Rev. B , vol.66 , pp. 235415
    • Sánchez-Portal, D.1    Hernández, E.2


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