메뉴 건너뛰기




Volumn 107, Issue 8, 2010, Pages

Impact of strain on the surface properties of transition metal carbide films: First-principles study

Author keywords

[No Author keywords available]

Indexed keywords

APPLIED STRAIN; CARBIDE SURFACES; CARBON ATOMS; CUBIC ROCKS; EFFECT OF IN; FIRST-PRINCIPLE STUDY; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; MOLECULAR DYNAMICS CALCULATION; PLANE WAVE; PSEUDOPOTENTIALS; SURFACE ENERGIES; SURFACE LAYERS; SURFACE STABILITY; TRANSITION METAL CARBIDE;

EID: 77952377121     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3327423     Document Type: Article
Times cited : (17)

References (51)
  • 2
    • 0000046627 scopus 로고
    • 10.1039/9781847553171-00333
    • S. T. Oyama and G. L. Haller, Catalysis CATADK 0140-0568 5, 333 (1982) 10.1039/9781847553171-00333
    • (1982) Catalysis , vol.5 , pp. 333
    • Oyama, S.T.1    Haller, G.L.2
  • 5
    • 0002948650 scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.31.2370
    • E. Wimmer, A. Neckel, and A. J. Freeman, Phys. Rev. B PRBMDO 0163-1829 31, 2370 (1985). 10.1103/PhysRevB.31.2370
    • (1985) Phys. Rev. B , vol.31 , pp. 2370
    • Wimmer, E.1    Neckel, A.2    Freeman, A.J.3
  • 8
    • 36449008567 scopus 로고
    • JAPIAU 0021-8979. 10.1063/1.355297
    • U. C. Oh and J. H. Je, J. Appl. Phys. JAPIAU 0021-8979 74, 1692 (1993). 10.1063/1.355297
    • (1993) J. Appl. Phys. , vol.74 , pp. 1692
    • Oh, U.C.1    Je, J.H.2
  • 10
    • 0035500888 scopus 로고    scopus 로고
    • First-principles study of the electronic properties of transition metal nitride surfaces
    • DOI 10.1016/S0039-6028(01)01280-8, PII S0039602801012808
    • K. Kobayashi, Surf. Sci. SUSCAS 0039-6028 493, 665 (2001) 10.1016/S0039-6028(01)01280-8 (Pubitemid 32943536)
    • (2001) Surface Science , vol.493 , Issue.1-3 , pp. 665-670
    • Kobayashi, K.1
  • 12
    • 0001448208 scopus 로고    scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.62.2899
    • M. Marlo and V. Milman, Phys. Rev. B PRBMDO 0163-1829 62, 2899 (2000). 10.1103/PhysRevB.62.2899
    • (2000) Phys. Rev. B , vol.62 , pp. 2899
    • Marlo, M.1    Milman, V.2
  • 13
    • 0036498621 scopus 로고    scopus 로고
    • A theoretical study on the chemical bonding of 3d-transition-metal carbides
    • DOI 10.1016/S0038-1098(02)00034-0, PII S0038109802000340
    • Y. Zhang, J. Li, L. Zhou, and S. Xiang, Solid State Commun. SSCOA4 0038-1098 121, 411 (2002). 10.1016/S0038-1098(02)00034-0 (Pubitemid 34181808)
    • (2002) Solid State Communications , vol.121 , Issue.8 , pp. 411-416
    • Zhang, Y.1    Li, J.2    Zhou, L.3    Xiang, S.4
  • 17
    • 0031072061 scopus 로고    scopus 로고
    • THSFAP 0040-6090. 10.1016/S0040-6090(96)09164-X
    • C. Gautier and J. Machet, Thin Solid Films THSFAP 0040-6090 295, 43 (1997). 10.1016/S0040-6090(96)09164-X
    • (1997) Thin Solid Films , vol.295 , pp. 43
    • Gautier, C.1    MacHet, J.2
  • 19
  • 20
    • 0033885644 scopus 로고    scopus 로고
    • Low energy ion beam assisted deposition of TiN thin films on silicon
    • DOI 10.1016/S1359-6462(99)00393-0
    • J. -H. Huang, C. -H. Lin, C. -H. Ma, and H. Chen, Scr. Mater. SCMAF7 1359-6462 42, 573 (2000). 10.1016/S1359-6462(99)00393-0 (Pubitemid 30581499)
    • (2000) Scripta Materialia , vol.42 , Issue.6 , pp. 573-579
    • Huang, J.-H.1    Lin, C.-H.2    Ma, C.-H.3    Chen, H.4
  • 21
    • 0038693105 scopus 로고    scopus 로고
    • Effects of N ion energy on titanium nitride films deposited by ion assisted filtered cathodic vacuum arc
    • DOI 10.1016/S0009-2614(03)00719-X, PII S000926140300719X
    • G. Q. Yu, B. K. Tay, S. P. Lau, K. Prasad, L. K. Pan, J. W. Chai, and D. Lai, Chem. Phys. Lett. CHPLBC 0009-2614 374, 264 (2003). 10.1016/S0009-2614(03) 00719-X (Pubitemid 36649651)
    • (2003) Chemical Physics Letters , vol.374 , Issue.3-4 , pp. 264-270
    • Yu, G.Q.1    Tay, B.K.2    Lau, S.P.3    Prasad, K.4    Pan, L.K.5    Chai, J.W.6    Lai, D.7
  • 27
    • 0034292281 scopus 로고    scopus 로고
    • Formation and properties of TiC thin films by pulsed Nd/YAG laser deposition
    • DOI 10.1016/S0040-6090(00)01166-4
    • Y. Suda, H. Kawasaki, K. Doi, and S. Hiraishi, Thin Solid Films THSFAP 0040-6090 374, 282 (2000). 10.1016/S0040-6090(00)01166-4 (Pubitemid 32030466)
    • (2000) Thin Solid Films , vol.374 , Issue.2 , pp. 282-286
    • Suda, Y.1    Kawasaki, H.2    Doi, K.3    Hiraishi, S.4
  • 29
    • 0021192551 scopus 로고
    • DOI 10.1016/0040-6090(84)90147-0
    • S. Schiller, G. Beister, and W. Sieber, Thin Solid Films THSFAP 0040-6090 111, 259 (1984). 10.1016/0040-6090(84)90147-0 (Pubitemid 14527877)
    • (1984) Thin Solid Films , vol.111 , Issue.3 , pp. 259-268
    • Schiller, S.1    Beister, G.2    Sieber, W.3
  • 30
    • 10644250257 scopus 로고
    • PRVAAH 0096-8250. 10.1103/PhysRev.136.B864
    • P. Hohenberg and W. Kohn, Phys. Rev. PRVAAH 0096-8250 136, B864 (1964). 10.1103/PhysRev.136.B864
    • (1964) Phys. Rev. , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 31
    • 0042113153 scopus 로고
    • PRVAAH 0096-8250. 10.1103/PhysRev.140.A1133
    • W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 140, A1133 (1965). 10.1103/PhysRev.140.A1133
    • (1965) Phys. Rev. , vol.140 , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 32
    • 12844286241 scopus 로고
    • 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 47, 558 (1993) 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 33
    • 27744460065 scopus 로고
    • 0163-1829 10.1103/PhysRevB.49.14251
    • G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 49, 14251 (1994) 10.1103/PhysRevB.49.14251
    • (1994) Phys. Rev. B PRBMDO , vol.49 , pp. 14251
    • Kresse, G.1    Hafner, J.2
  • 34
  • 35
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 36
    • 20544463457 scopus 로고
    • D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 41, 7892 (1990) 10.1103/PhysRevB.41.7892
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 38
    • 25744460922 scopus 로고
    • P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 50, 17953 (1994) 10.1103/PhysRevB.50.17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 39
    • 0011236321 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 59, 1758 (1999). 10.1103/PhysRevB.59.1758
    • (1999) Phys. Rev. B PRBMDO , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 40
    • 1842816907 scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 0163-1829 13, 5188 (1976). 10.1103/PhysRevB.13.5188
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 45
    • 34548692338 scopus 로고    scopus 로고
    • Theoretical studies of electronic states and phonon modes on the TiC(0 0 1)(1 × 1) surface
    • DOI 10.1016/j.susc.2007.04.135, PII S0039602807003391, ECOSS-24
    • H. P. Tütüncü and G. P. Srivastava, Surf. Sci. SUSCAS 0039-6028 601, 4025 (2007). 10.1016/j.susc.2007.04.135 (Pubitemid 47411645)
    • (2007) Surface Science , vol.601 , Issue.18 , pp. 4025-4028
    • Tutuncu, H.M.1    Srivastava, G.P.2
  • 46
    • 18744398151 scopus 로고    scopus 로고
    • A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides
    • DOI 10.1063/1.1888370, 174709
    • F. Vies, C. Sousa, P. Liu, J. A. Rodriguez, and F. Illas, J. Chem. Phys. JCPSA6 0021-9606 122, 174709 (2005). 10.1063/1.1888370 (Pubitemid 40665998)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.17 , pp. 1-11
    • Vines, F.1    Sousa, C.2    Liu, P.3    Rodriguez, J.A.4    Illas, F.5
  • 47
    • 0000321393 scopus 로고    scopus 로고
    • PRLTAO 0031-9007. 10.1103/PhysRevLett.77.3375
    • D. L. Price, J. M. Wills, and B. R. Cooper, Phys. Rev. Lett. PRLTAO 0031-9007 77, 3375 (1996). 10.1103/PhysRevLett.77.3375
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3375
    • Price, D.L.1    Wills, J.M.2    Cooper, B.R.3
  • 50
    • 33645715849 scopus 로고
    • PRBMDO 0163-1829. 10.1103/PhysRevB.48.15301
    • D. L. Price, J. M. Wills, and B. R. Cooper, Phys. Rev. B PRBMDO 0163-1829 48, 15301 (1993). 10.1103/PhysRevB.48.15301
    • (1993) Phys. Rev. B , vol.48 , pp. 15301
    • Price, D.L.1    Wills, J.M.2    Cooper, B.R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.