메뉴 건너뛰기




Volumn 118, Issue 6, 2014, Pages 3202-3208

A novel superhard tetragonal carbon mononitride

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84894086172     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp409152t     Document Type: Article
Times cited : (33)

References (52)
  • 1
    • 0031238841 scopus 로고    scopus 로고
    • The Search for Superhard Materials
    • Léger, J. M.; Haines, J. The Search for Superhard Materials Endeavour 1997, 21, 121-124
    • (1997) Endeavour , vol.21 , pp. 121-124
    • Léger, J.M.1    Haines, J.2
  • 2
    • 20444373328 scopus 로고
    • Prediction of New Low Compressibility Solids
    • Liu, A. Y.; Cohen, M. L. Prediction of New Low Compressibility Solids Science 1989, 245, 841-842
    • (1989) Science , vol.245 , pp. 841-842
    • Liu, A.Y.1    Cohen, M.L.2
  • 4
    • 0343380830 scopus 로고    scopus 로고
    • Carbon Nitride Compounds with 1:1 Stoichiometry
    • Coîté, M.; Cohen, M. L. Carbon Nitride Compounds with 1:1 Stoichiometry Phys. Rev. B 1997, 55, 5684-5688
    • (1997) Phys. Rev. B , vol.55 , pp. 5684-5688
    • Coîté, M.1    Cohen, M.L.2
  • 6
    • 67649202764 scopus 로고    scopus 로고
    • Thermodynamic Stability and Electronic Structure of Small Carbon Nitride Nanotubes
    • Hales, J.; Barnard, A. S. Thermodynamic Stability and Electronic Structure of Small Carbon Nitride Nanotubes J. Phys.: Condens. Matter 2009, 21, 144203
    • (2009) J. Phys.: Condens. Matter , vol.21 , pp. 144203
    • Hales, J.1    Barnard, A.S.2
  • 7
    • 0035131304 scopus 로고    scopus 로고
    • Tetragonal Crystalline Carbon Nitrides: Theoretical Predictions
    • Kim, E.; Chen, C.; Kohler, T.; Elstner, M.; Frauenheim, T. Tetragonal Crystalline Carbon Nitrides: Theoretical Predictions Phys. Rev. Lett. 2001, 86, 652-655
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 652-655
    • Kim, E.1    Chen, C.2    Kohler, T.3    Elstner, M.4    Frauenheim, T.5
  • 8
    • 0035971946 scopus 로고    scopus 로고
    • Stability of Tetragonal Crystalline Carbon Nitrides: The Nitrogen Content Dependence
    • Kim, E.; Chen, C. Stability of Tetragonal Crystalline Carbon Nitrides: The Nitrogen Content Dependence Phys. Lett. A 2001, 282, 415-420
    • (2001) Phys. Lett. A , vol.282 , pp. 415-420
    • Kim, E.1    Chen, C.2
  • 9
    • 72849122701 scopus 로고    scopus 로고
    • Carbon Nitride: Ab Initio Investigation of Carbon-rich Phases
    • Hart, J. N.; Claeyssens, F.; Allan, N. L.; May, P. W. Carbon Nitride: Ab Initio Investigation of Carbon-rich Phases Phys. Rev. B 2009, 80, 174111
    • (2009) Phys. Rev. B , vol.80 , pp. 174111
    • Hart, J.N.1    Claeyssens, F.2    Allan, N.L.3    May, P.W.4
  • 13
    • 0342945364 scopus 로고
    • Superhard and Elastic Carbon Nitride Thin Films Having Fullerenelike Microstructure
    • Sjöström, H.; Stafström, S.; Boman, M.; Sundgren, J.-E. Superhard and Elastic Carbon Nitride Thin Films Having Fullerenelike Microstructure Phys. Rev. Lett. 1995, 75, 1336-1339
    • (1995) Phys. Rev. Lett. , vol.75 , pp. 1336-1339
    • Sjöström, H.1    Stafström, S.2    Boman, M.3    Sundgren, J.-E.4
  • 15
    • 0029797765 scopus 로고    scopus 로고
    • Stability of Carbon Nitride Materials at High Pressure and Temperature
    • Stevens, A. J.; Koga, T.; Agee, C. B.; Aziz, M. J.; Lieber, C. M. Stability of Carbon Nitride Materials at High Pressure and Temperature J. Am. Chem. Soc. 1996, 118, 10900-10901
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 10900-10901
    • Stevens, A.J.1    Koga, T.2    Agee, C.B.3    Aziz, M.J.4    Lieber, C.M.5
  • 18
    • 0031295275 scopus 로고    scopus 로고
    • Research on Carbon Nitride
    • Wang, E. G. Research on Carbon Nitride Prog. Mater. Sci. 1997, 41, 241-298
    • (1997) Prog. Mater. Sci. , vol.41 , pp. 241-298
    • Wang, E.G.1
  • 19
    • 0032692055 scopus 로고    scopus 로고
    • A Review of the Preparation of Carbon Nitride Films
    • Muhl, S.; Méndez, J. M. A Review of the Preparation of Carbon Nitride Films Diamond Relat. Mater. 1999, 8, 1809-1830
    • (1999) Diamond Relat. Mater. , vol.8 , pp. 1809-1830
    • Muhl, S.1    Méndez, J.M.2
  • 20
    • 79961046629 scopus 로고    scopus 로고
    • First-principles Simulation of Cyanogen under High Pressure: Formation of Paracyanogen and an Insulating Carbon Nitride Solid
    • Khazaei, M.; Tripathi, M. N.; Kawazoe, Y. First-principles Simulation of Cyanogen under High Pressure: Formation of Paracyanogen and an Insulating Carbon Nitride Solid Phys. Rev. B 2011, 83, 134111
    • (2011) Phys. Rev. B , vol.83 , pp. 134111
    • Khazaei, M.1    Tripathi, M.N.2    Kawazoe, Y.3
  • 22
    • 54049153179 scopus 로고    scopus 로고
    • Graphitic Carbon Nitride Materials: Variation of Structure and Morphology and Their Use as Metal-free Catalysts
    • Thomas, A.; Fischer, A.; Goettman, F.; Antonietti, M.; Müller, J.-O.; Schlögl, R.; Carlsson, J. M. Graphitic Carbon Nitride Materials: Variation of Structure and Morphology and Their Use as Metal-free Catalysts J. Mater. Chem. 2008, 18, 4893-4908
    • (2008) J. Mater. Chem. , vol.18 , pp. 4893-4908
    • Thomas, A.1    Fischer, A.2    Goettman, F.3    Antonietti, M.4    Müller, J.-O.5    Schlögl, R.6    Carlsson, J.M.7
  • 23
    • 77955670460 scopus 로고    scopus 로고
    • Cubic Gauche-CN: A Superhard Metallic Compound Predicted via First-principles Calculations
    • Wang, X. L.; Bao, K.; Tian, F. B.; Meng, X.; Chen, C. B.; Dong, B. W.; Li, D.; Liu, B. B.; Cui, T. Cubic Gauche-CN: A Superhard Metallic Compound Predicted via First-principles Calculations J. Chem. Phys. 2010, 133, 044512
    • (2010) J. Chem. Phys. , vol.133 , pp. 044512
    • Wang, X.L.1    Bao, K.2    Tian, F.B.3    Meng, X.4    Chen, C.B.5    Dong, B.W.6    Li, D.7    Liu, B.B.8    Cui, T.9
  • 25
    • 84863435001 scopus 로고    scopus 로고
    • Understanding the Nature of "superhard Graphite"
    • Boulfelfel, S. E.; Oganov, A. R.; Leoni, S. Understanding the Nature of "Superhard Graphite" Sci. Rep. 2012, 2, 471
    • (2012) Sci. Rep. , vol.2 , pp. 471
    • Boulfelfel, S.E.1    Oganov, A.R.2    Leoni, S.3
  • 26
    • 84864262445 scopus 로고    scopus 로고
    • Crystal Structure of Graphite under Room-temperature Compression and Decompression
    • Wang, Y.; Panzik, J. E.; Kiefer, B.; Lee, K. K. M. Crystal Structure of Graphite under Room-temperature Compression and Decompression Sci. Rep. 2012, 2, 520
    • (2012) Sci. Rep. , vol.2 , pp. 520
    • Wang, Y.1    Panzik, J.E.2    Kiefer, B.3    Lee, K.K.M.4
  • 27
    • 84876490175 scopus 로고    scopus 로고
    • 3-hybridized Superhard CN
    • 3-hybridized Superhard CN J. Chem. Phys. 2012, 137, 184506
    • (2012) J. Chem. Phys. , vol.137 , pp. 184506
    • Wang, X.L.1
  • 28
    • 77957558333 scopus 로고    scopus 로고
    • Crystal Structure Prediction via Particle Swarm Optimization
    • Wang, Y. C.; Lv, J.; Zhu, L.; Ma, Y. M. Crystal Structure Prediction via Particle Swarm Optimization Phys. Rev. B 2010, 82, 094116
    • (2010) Phys. Rev. B , vol.82 , pp. 094116
    • Wang, Y.C.1    Lv, J.2    Zhu, L.3    Ma, Y.M.4
  • 30
    • 78651287027 scopus 로고    scopus 로고
    • Predicted Novel High-Pressure Phases of Lithium
    • Lv, J.; Wang, Y. C.; Zhu, L.; Ma, Y. M. Predicted Novel High-Pressure Phases of Lithium Phys. Rev. Lett. 2011, 106, 015503
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 015503
    • Lv, J.1    Wang, Y.C.2    Zhu, L.3    Ma, Y.M.4
  • 32
    • 84863092739 scopus 로고    scopus 로고
    • CALYPSO: A Method for Crystal Structure Prediction
    • Wang, Y. C.; Lv, J.; Zhu, L.; Ma, Y. M. CALYPSO: A Method for Crystal Structure Prediction Comput. Phys. Commun. 2012, 183, 2063-2070
    • (2012) Comput. Phys. Commun. , vol.183 , pp. 2063-2070
    • Wang, Y.C.1    Lv, J.2    Zhu, L.3    Ma, Y.M.4
  • 33
    • 2442537377 scopus 로고    scopus 로고
    • Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
    • Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 34
    • 4243943295 scopus 로고    scopus 로고
    • Generalized Gradient Approximation Made Simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 35
    • 0011236321 scopus 로고    scopus 로고
    • From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
    • Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B 1999, 59, 1758-1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 36
    • 1842816907 scopus 로고
    • Special Points for Brillouin-Zone Integrations
    • Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 38
    • 33144479510 scopus 로고
    • The Elastic Behaviour of a Crystalline Aggregate
    • Hill, R. The Elastic Behaviour of a Crystalline Aggregate Proc. Phys. Soc., London, Sect. A 1952, A65, 349-354
    • (1952) Proc. Phys. Soc., London, Sect. A , vol.65 , pp. 349-354
    • Hill, R.1
  • 43
    • 33645133096 scopus 로고
    • Brillouin Scattering in Diamond
    • Grimsditch, M. H.; Ramdas, A. K. Brillouin Scattering in Diamond Phys. Rev. B 1975, 11, 3139-3148
    • (1975) Phys. Rev. B , vol.11 , pp. 3139-3148
    • Grimsditch, M.H.1    Ramdas, A.K.2
  • 44
    • 84860301308 scopus 로고    scopus 로고
    • Strength, Hardness, and Lattice Vibrations of Z-carbon and W-carbon: First-principles Calculations
    • Li, Z. P.; Gao, F. M.; Xu, Z. M. Strength, Hardness, and Lattice Vibrations of Z-carbon and W-carbon: First-principles Calculations Phys. Rev. B 2012, 85, 144115
    • (2012) Phys. Rev. B , vol.85 , pp. 144115
    • Li, Z.P.1    Gao, F.M.2    Xu, Z.M.3
  • 47
    • 0031678230 scopus 로고    scopus 로고
    • Computational Alchemy: The Search for New Superhard Materials
    • Teter, D. M. Computational Alchemy: The Search for New Superhard Materials Mater. Res. Soc. Bull. 1998, 23, 22-27
    • (1998) Mater. Res. Soc. Bull. , vol.23 , pp. 22-27
    • Teter, D.M.1
  • 48
    • 0029307277 scopus 로고
    • Elastic Constants of Single Crystal γ -TiAl
    • He, Y.; Schwarz, R. B.; Migliori, A. Elastic Constants of Single Crystal γ -TiAl J. Mater. Res. 1995, 10, 1187-1195
    • (1995) J. Mater. Res. , vol.10 , pp. 1187-1195
    • He, Y.1    Schwarz, R.B.2    Migliori, A.3
  • 52
    • 36249023107 scopus 로고    scopus 로고
    • Mechanical and Electronic Properties of Hard Rhenium Diboride of Low Elastic Compressibility Studied by First-principles Calculation
    • Zhang, R. F.; Veprek, S.; Argon, A. S. Mechanical and Electronic Properties of Hard Rhenium Diboride of Low Elastic Compressibility Studied by First-principles Calculation Appl. Phys. Lett. 2007, 91, 201914
    • (2007) Appl. Phys. Lett. , vol.91 , pp. 201914
    • Zhang, R.F.1    Veprek, S.2    Argon, A.S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.