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Volumn 41, Issue , 2013, Pages 375-401

Elastic, mechanical and thermodynamic properties at high pressures and temperatures of transition metal monocarbides

Author keywords

Brittle; Carbides; Debye temperature; Mechanical stiffening; Thermal softening

Indexed keywords

BRITTLE; CHARGE TRANSFER INTERACTION; EXPERIMENTAL CONFIRMATION; INTERATOMIC INTERACTIONS; MECHANICAL STIFFENING; THERMAL EXPANSION COEFFICIENTS; THERMAL SOFTENING; VAN DER WAALS INTERACTIONS;

EID: 84884349323     PISSN: 02634368     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijrmhm.2013.05.013     Document Type: Article
Times cited : (33)

References (54)
  • 3
    • 4243800950 scopus 로고
    • Phonon spectra in Tac and HfC
    • H.G. Smith, and W. Glaser Phonon spectra in Tac and HfC Phys Rev Lett 25 1970 1613
    • (1970) Phys Rev Lett , vol.25 , pp. 1613
    • Smith, H.G.1    Glaser, W.2
  • 4
    • 0000533418 scopus 로고
    • Lattice dynamics of transition-metal carbides
    • W. Weber Lattice dynamics of transition-metal carbides Phys. Rev. B 8 1973 5082
    • (1973) Phys. Rev. B , vol.8 , pp. 5082
    • Weber, W.1
  • 5
    • 0000694710 scopus 로고
    • Total energies and bonding for crystallographic structures in titanium-carbon and tungsten-carbon system
    • L. Price David, and R. Cooper Bernard Total energies and bonding for crystallographic structures in titanium-carbon and tungsten-carbon system Phys. Rev. B 39 1989 4945
    • (1989) Phys. Rev. B , vol.39 , pp. 4945
    • Price David, L.1    Cooper Bernard, R.2
  • 6
    • 0000647804 scopus 로고
    • Band structure and cohesive properties of 3d- transition metal carbides and nitrides with the NaCl type structure
    • J. Haglund, G. Grimvall, T. Jarlborg, and A.F. Guillermet Band structure and cohesive properties of 3d- transition metal carbides and nitrides with the NaCl type structure Phys. Rev. B 43 1991 14400 14408
    • (1991) Phys. Rev. B , vol.43 , pp. 14400-14408
    • Haglund, J.1    Grimvall, G.2    Jarlborg, T.3    Guillermet, A.F.4
  • 7
    • 0001100244 scopus 로고
    • Cohesive properties of 4d- transition metal carbides and nitrides with the NaCl type structure
    • A.F. Guillermet, J. Haglund, and G. Grimvall Cohesive properties of 4d- transition metal carbides and nitrides with the NaCl type structure Phys. Rev. B 45 1992 11557 11567
    • (1992) Phys. Rev. B , vol.45 , pp. 11557-11567
    • Guillermet, A.F.1    Haglund, J.2    Grimvall, G.3
  • 9
    • 0037212391 scopus 로고    scopus 로고
    • FP-LAPW investigations of electronic structure and bonding mechanism of NbC and NbN compounds
    • T. Amriou, B. Bouhafs, H. Aourag, B. Khelifa, S. Bresson, and C. Mathieu FP-LAPW investigations of electronic structure and bonding mechanism of NbC and NbN compounds Physica B 325 2003 46 56
    • (2003) Physica B , vol.325 , pp. 46-56
    • Amriou, T.1    Bouhafs, B.2    Aourag, H.3    Khelifa, B.4    Bresson, S.5    Mathieu, C.6
  • 10
    • 4243094852 scopus 로고    scopus 로고
    • First-principles calculations of the elastic properties of ZrC and ZrN
    • Cheng Dayong, Wang Shaoqing, and Ye Hengqiang First-principles calculations of the elastic properties of ZrC and ZrN J Alloys Compd 377 2004 221 224
    • (2004) J Alloys Compd , vol.377 , pp. 221-224
    • Dayong, C.1    Shaoqing, W.2    Hengqiang, Y.3
  • 11
    • 28244479274 scopus 로고    scopus 로고
    • Trends in elasticity and electronic structure of transition-metal nitrides and carbides from first principles
    • Zhigang Wu, Chen Xiao-Jia, V. Struzhkin Viktor, and E. Cohen Ronald Trends in elasticity and electronic structure of transition-metal nitrides and carbides from first principles Phys. Rev. B 71 2005 214103
    • (2005) Phys. Rev. B , vol.71 , pp. 214103
    • Wu, Z.1    Xiao-Jia, C.2    Struzhkin Viktor, V.3    Cohen Ronald, E.4
  • 12
    • 79957747148 scopus 로고    scopus 로고
    • First-principles study of structural stability, electronic and elastic properties of ZrC compounds
    • Zengtao Lv, Haiquan Hu, Cheng Wu, Shouxin Cui, Guiqing Zhang, and Wenxia Feng First-principles study of structural stability, electronic and elastic properties of ZrC compounds Physica B 406 2011 2750 2754
    • (2011) Physica B , vol.406 , pp. 2750-2754
    • Lv, Z.1    Hu, H.2    Wu, C.3    Cui, S.4    Zhang, G.5    Feng, W.6
  • 13
    • 82355190164 scopus 로고    scopus 로고
    • Elastic and thermodynamic properties of TiC from first-principles calculations
    • YanHong Li, WanFeng Wang, Bo Zhu, Ming Xu, Jun Zhu, and YanJun Hao Elastic and thermodynamic properties of TiC from first-principles calculations Sci China Phys Mech Astron 54 2011 2196 2201
    • (2011) Sci China Phys Mech Astron , vol.54 , pp. 2196-2201
    • Li, Y.1    Wang, W.2    Zhu, B.3    Xu, M.4    Zhu, J.5    Hao, Y.6
  • 15
    • 0001346015 scopus 로고    scopus 로고
    • Transition metals and their carbides and nitrides: Trends in electronic and structural properties
    • J.C. Grossman, A. Mizel, M. Core, M.L. Cohen, and S.G. Louie Transition metals and their carbides and nitrides: trends in electronic and structural properties Phys. Rev. B 60 1999 6343 6347
    • (1999) Phys. Rev. B , vol.60 , pp. 6343-6347
    • Grossman, J.C.1    Mizel, A.2    Core, M.3    Cohen, M.L.4    Louie, S.G.5
  • 16
    • 13444253336 scopus 로고    scopus 로고
    • Ab intio calcuation of the electronic and mechanical properties of transition metals and their nitrides
    • C.B. Li, M.K. Li, F.Q. Liu, and X.J. Fan Ab intio calcuation of the electronic and mechanical properties of transition metals and their nitrides Mod Phys Lett B 18 2004 281 289
    • (2004) Mod Phys Lett B , vol.18 , pp. 281-289
    • Li, C.B.1    Li, M.K.2    Liu, F.Q.3    Fan, X.J.4
  • 17
    • 0011586275 scopus 로고
    • Outer-shell overlap integral as a function of distance for halogen-halogen, halogen-alkali, and alkali-alkali ions in the alkali halide lattices
    • D.W. Hafemeister, and W.H. Flygare Outer-shell overlap integral as a function of distance for halogen-halogen, halogen-alkali, and alkali-alkali ions in the alkali halide lattices J Chem Phys Soc 43 1965 795
    • (1965) J Chem Phys Soc , vol.43 , pp. 795
    • Hafemeister, D.W.1    Flygare, W.H.2
  • 18
    • 22844451255 scopus 로고    scopus 로고
    • Study of elastic properties and their pressure dependence of semi magnetic semiconductors
    • D. Varshney, P. Sharma, N. Kaurav, S. Shah, and R.K. Singh Study of elastic properties and their pressure dependence of semi magnetic semiconductors J Phys Soc Jpn 74 2005 382 388
    • (2005) J Phys Soc Jpn , vol.74 , pp. 382-388
    • Varshney, D.1    Sharma, P.2    Kaurav, N.3    Shah, S.4    Singh, R.K.5
  • 19
    • 84864547769 scopus 로고    scopus 로고
    • Study of pressure induced structural phase transition and elastic properties of Lanthanum pnictides
    • Dinesh Varshney, Swarna Shriya, and Meenu Varshney Study of pressure induced structural phase transition and elastic properties of Lanthanum pnictides Eur Phys J B 85 2012 241 272
    • (2012) Eur Phys J B , vol.85 , pp. 241-272
    • Varshney, D.1    Shriya, S.2    Varshney, M.3
  • 20
    • 84860498863 scopus 로고    scopus 로고
    • Pressure dependent mechanical properties of Europium mono chalcogenides under high pressure
    • Dinesh Varshney, Swarna Shriya, Meenu Varshney, and R. Khenata Pressure dependent mechanical properties of Europium mono chalcogenides under high pressure Comput Mater Sci 61 2012 158 179
    • (2012) Comput Mater Sci , vol.61 , pp. 158-179
    • Varshney, D.1    Shriya, S.2    Varshney, M.3    Khenata, R.4
  • 21
    • 63749126177 scopus 로고
    • Cohesion of ionic solids in the born model
    • M.P. Tosi Cohesion of ionic solids in the born model Solid State Phys 16 1964 1
    • (1964) Solid State Phys , vol.16 , pp. 1
    • Tosi, M.P.1
  • 23
    • 36149017081 scopus 로고
    • The vander Waals forces in gases
    • J.C. Slater, and J.G. Kirkwood The vander Waals forces in gases Phys Rev 37 1931 682 697
    • (1931) Phys Rev , vol.37 , pp. 682-697
    • Slater, J.C.1    Kirkwood, J.G.2
  • 24
    • 36149019796 scopus 로고
    • Electronic polarizabilities of ion in crystals
    • J.R. Tessman, A.H. Kahn, and W. Shockley Electronic polarizabilities of ion in crystals Phys Rev 92 1953 890 895
    • (1953) Phys Rev , vol.92 , pp. 890-895
    • Tessman, J.R.1    Kahn, A.H.2    Shockley, W.3
  • 25
    • 0023844689 scopus 로고
    • Calculated energy-band structures and chemical bonding in titanium and vanadium carbides, nitrides and oxides
    • V.P. Zhukov, V.A. Gubanov, O. Jepsen, N.E. Christensen, and O.K. Andersen Calculated energy-band structures and chemical bonding in titanium and vanadium carbides, nitrides and oxides J Phys Chem Solids 49 1988 841 849
    • (1988) J Phys Chem Solids , vol.49 , pp. 841-849
    • Zhukov, V.P.1    Gubanov, V.A.2    Jepsen, O.3    Christensen, N.E.4    Andersen, O.K.5
  • 28
    • 0037444777 scopus 로고    scopus 로고
    • Ultrasonic determination of the elastic and nonlinear acoustic properties of transition-metal carbide ceramics: TiC and TaC
    • S.P. Dodd, M. Cankurtaran, and B. James Ultrasonic determination of the elastic and nonlinear acoustic properties of transition-metal carbide ceramics: TiC and TaC J Mater Sci 38 2003 1107 1115
    • (2003) J Mater Sci , vol.38 , pp. 1107-1115
    • Dodd, S.P.1    Cankurtaran, M.2    James, B.3
  • 29
    • 18744398151 scopus 로고    scopus 로고
    • A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides
    • F. Viñes, C. Sousa, P. Liu, J.A. Rodriguez, and F. Illasa A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides J Chem Phys 122 2005 174709
    • (2005) J Chem Phys , vol.122 , pp. 174709
    • Viñes, F.1    Sousa, C.2    Liu, P.3    Rodriguez, J.A.4    Illasa, F.5
  • 30
    • 0000311055 scopus 로고
    • The compressibility of media under extreme pressures
    • F.D. Murnaghan The compressibility of media under extreme pressures Proc Natl Acad Sci U S A 30 1944 244
    • (1944) Proc Natl Acad Sci U S A , vol.30 , pp. 244
    • Murnaghan, F.D.1
  • 31
    • 0001338887 scopus 로고
    • Relation between third-order elastic constants of single crystals and polycrystals
    • G.R. Barsch Relation between third-order elastic constants of single crystals and polycrystals J Appl Phys 39 1968 3780 3793
    • (1968) J Appl Phys , vol.39 , pp. 3780-3793
    • Barsch, G.R.1
  • 32
    • 33144479510 scopus 로고
    • The elastic behavior of a crystalline
    • R. Hill The elastic behavior of a crystalline Proc Phys Soc (Lond) 65A 1952 349 352
    • (1952) Proc Phys Soc (Lond) , vol.65 A , pp. 349-352
    • Hill, R.1
  • 35
    • 0000829983 scopus 로고
    • Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
    • S.F. Pugh Relations between the elastic moduli and the plastic properties of polycrystalline pure metals Phil Mag 45 1954 823 843
    • (1954) Phil Mag , vol.45 , pp. 823-843
    • Pugh, S.F.1
  • 39
    • 77949488278 scopus 로고    scopus 로고
    • Pressure dependent elastic and structural (B3-B1) properties of Ga based monopnictides
    • D. Varshney, G. Joshi, M. Varshney, and Swarna Shriya Pressure dependent elastic and structural (B3-B1) properties of Ga based monopnictides J Alloys Compd 495 2010 23 32
    • (2010) J Alloys Compd , vol.495 , pp. 23-32
    • Varshney, D.1    Joshi, G.2    Varshney, M.3    Shriya, S.4
  • 41
    • 76449088799 scopus 로고    scopus 로고
    • Pressure induced structural phase transition and elastic properties in BSb, AlSb, GaSb and InSb compounds
    • D. Varshney, G. Joshi, M. Varshney, and Shriya Swarna Pressure induced structural phase transition and elastic properties in BSb, AlSb, GaSb and InSb compounds Physica B 405 2010 1663 1676
    • (2010) Physica B , vol.405 , pp. 1663-1676
    • Varshney, D.1    Joshi, G.2    Varshney, M.3    Swarna, S.4
  • 43
    • 84860534741 scopus 로고    scopus 로고
    • Structural, electronic and elastic properties of the new ternary alkali metal chalcogenides KLiX (X = S, Se and Te)
    • T. Seddik, R. Khenata, A. Bouhemadou, D. Rached, Dinesh Varshney, and S. Bin-Omran Structural, electronic and elastic properties of the new ternary alkali metal chalcogenides KLiX (X = S, Se and Te) Comput Mater Sci 61 2012 206 212
    • (2012) Comput Mater Sci , vol.61 , pp. 206-212
    • Seddik, T.1    Khenata, R.2    Bouhemadou, A.3    Rached, D.4    Varshney, D.5    Bin-Omran, S.6
  • 44
    • 79960373062 scopus 로고    scopus 로고
    • Bin Omran S, and Varshney Dinesh, Structural stabilities, elastic and thermodynamic properties of Scandium Chalcogenides via first-principles calculations
    • A. Maachou, H. Aboura, B. Amrani, and R. Khenata Bin Omran S, and Varshney Dinesh, Structural stabilities, elastic and thermodynamic properties of Scandium Chalcogenides via first-principles calculations Comput Mater Sci 50 2011 3123 3130
    • (2011) Comput Mater Sci , vol.50 , pp. 3123-3130
    • Maachou, A.1    Aboura, H.2    Amrani, B.3    Khenata, R.4
  • 45
    • 7044221045 scopus 로고
    • Segal B Electronic structure of GaN with strain and phonon distortions
    • K. Kim, and W.R.L. Lambrecht Segal B Electronic structure of GaN with strain and phonon distortions Phys. Rev. B 50 1994 1502 1505
    • (1994) Phys. Rev. B , vol.50 , pp. 1502-1505
    • Kim, K.1    Lambrecht, W.R.L.2
  • 46
    • 0001337022 scopus 로고
    • Deformation potentials in silicon. I. Uniaxial strain
    • L. Kleinman Deformation potentials in silicon. I. Uniaxial strain Phys Rev 128 1962 2614 2621
    • (1962) Phys Rev , vol.128 , pp. 2614-2621
    • Kleinman, L.1
  • 48
    • 33847347324 scopus 로고
    • Contributions to the theory of the specific heat of crystals. I. Lattice theory and continuum
    • M. Blackman Contributions to the theory of the specific heat of crystals. I. Lattice theory and continuum Proc R Soc Lond A 148 1935 365 383
    • (1935) Proc R Soc Lond A , vol.148 , pp. 365-383
    • Blackman, M.1
  • 49
    • 80755144413 scopus 로고
    • Contributions to the theory of the specific heat of crystals. II. on the vibrational spectrum of cubical lattices and its application to the specific heat of crystals
    • M. Blackman Contributions to the theory of the specific heat of crystals. II. On the vibrational spectrum of cubical lattices and its application to the specific heat of crystals Proc R Soc Lond A 148 1935 384 406
    • (1935) Proc R Soc Lond A , vol.148 , pp. 384-406
    • Blackman, M.1
  • 50
    • 33847347324 scopus 로고
    • 3 regions in the specific heat curve of a crystal
    • 3 regions in the specific heat curve of a crystal Proc R Soc Lond A 149 1935 117 125
    • (1935) Proc R Soc Lond A , vol.149 , pp. 117-125
    • Blackman, M.1
  • 51
    • 84864532981 scopus 로고
    • On the vibrational spectrum of a three-dimensional lattice
    • M. Blackman On the vibrational spectrum of a three-dimensional lattice Proc R Soc Lond A 159 1937 416 431
    • (1937) Proc R Soc Lond A , vol.159 , pp. 416-431
    • Blackman, M.1
  • 52
    • 1542566263 scopus 로고
    • On the relation of debye theory and the lattice theory of specific heats
    • M. Blackman On the relation of debye theory and the lattice theory of specific heats Proc R Soc Lond A 181 1942 58
    • (1942) Proc R Soc Lond A , vol.181 , pp. 58
    • Blackman, M.1
  • 53
    • 36849099322 scopus 로고
    • Low temperature elastic properties of ZrC and TiC
    • Roger Chang, and L.J. Graham Low temperature elastic properties of ZrC and TiC J Appl Phys 37 1966
    • (1966) J Appl Phys , vol.37
    • Chang, R.1    Graham, L.J.2
  • 54
    • 36849107079 scopus 로고
    • Elastic properties of some polycrystalline transition-metal monocarbides
    • L. Brown Harry, E. Armstrong Philip, and P. Kempter Charles Elastic properties of some polycrystalline transition-metal monocarbides J Chem Phys 45 1966 547
    • (1966) J Chem Phys , vol.45 , pp. 547
    • Brown Harry, L.1    Armstrong Philip, E.2    Kempter Charles, P.3


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