SCOPUS 정보 검색 플랫폼

Volumn 89, Issue 20, 2009, Pages 1629-1645

Ab initio pseudopotential study of vacancies and self-interstitials in hcp titanium

(6) Tunde Raji, Abdulrafiu a Scandolo, Sandro b Mazzarello, Riccardo c,d Nsengiyumva, Schadrack a Härting, Margit a Thomas Britton, David a

a UNIVERSITY OF CAPE TOWN (South Africa)

b ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS (Italy)

c SISSA (Italy)

d USI Campus ^* (Switzerland)

Author keywords

Ab initio; Density functional theory; Ion implantation; Itanium; Point defects; Residual stress; Self interstitial

Indexed keywords

AB INITIO; AB INITIO PSEUDOPOTENTIALS; CO-EXISTENCE; DIVACANCIES; DUMB-BELL CONFIGURATION; FORMATION ENERGIES; IN-PLANE; INTERSTITIALS; ITANIUM; MIGRATION MECHANISMS; MINIMUM ENERGY PATHS; NUDGED ELASTIC BAND METHODS; OCTAHEDRAL SITES; PLANE-WAVE PSEUDOPOTENTIAL METHOD; SELF-INTERSTITIAL; SINGLE VACANCIES; SMALL ENERGY; STABLE CONFIGURATION; TETRAHEDRAL CONFIGURATIONS; THEORETICAL CALCULATIONS; TITANIUM ATOMS;

ION BOMBARDMENT; ION IMPLANTATION; POINT DEFECTS; RESIDUAL STRESSES; TIME VARYING SYSTEMS; TITANIUM; VACANCIES; WAVE FUNCTIONS; WEAR RESISTANCE;

DENSITY FUNCTIONAL THEORY;

EID: 69949124767 PISSN: 14786435 EISSN: 14786443 Source Type: Journal
DOI: 10.1080/14786430903019032 Document Type: Article

Times cited : (52)

References (58)

1
- 0038170699
- P. Soderlind, L.H. Yang and J.A. Moriarty, Phys. Rev. B 61 (2000) p.2579.
- (2000) Phys. Rev. B , vol.61 , pp. 2579
- Soderlind, P.¹ Yang, L.H.² Moriarty, J.A.³

2
- 0037444983
- S. Han, L.A. Zepeda-Ruiz, G.J. Ackland, R. Car and D.J. Srolovitz, J. Appl. Phys. 93 (2003) p.3328.
- (2003) J. Appl. Phys. , vol.93 , pp. 3328
- Han, S.¹ Zepeda-Ruiz, L.A.² Ackland, G.J.³ Car, R.⁴ Srolovitz, D.J.⁵

3
- 37149001218
- M.I. Mendelev, S. Han, W.-J. Son, G.J. Ackland and D.J. Srolovitz, Phys. Rev. B 76 (2007) p.214105.
- (2007) Phys. Rev. B , vol.76 , pp. 214105
- Mendelev, M.I.¹ Han, S.² Son, W.-J.³ Ackland, G.J.⁴ Srolovitz, D.J.⁵

4
- 0013486585
- R. Pawellek, M. Fahnle, C. Elsässer, K.M. Ho and C.T Chan, J. Phy. Condens Mater. 3 (1991) p.2451.
- (1991) J. Phy. Condens Mater. , vol.3 , pp. 2451
- Pawellek, R.¹ Fahnle, M.² Elsässer, C.³ Ho, K.M.⁴ Chan, C.T.⁵

5
- 0000789570
- W. Frank, U. Breier, C. Elsässer and M. Fähnle, Phys. Rev. B 48 (1993) p.7676.
- (1993) Phys. Rev. B , vol.48 , pp. 7676
- Frank, W.¹ Breier, U.² Elsässer, C.³ Fähnle, M.⁴

6
- 0026189590
- B. Drittler, M. Weinert, R. Zeller and P.H. Dederichs, Solid State Commun. 79 (1991) p.31.
- (1991) Solid State Commun. , vol.79 , pp. 31
- Drittler, B.¹ Weinert, M.² Zeller, R.³ Dederichs, P.H.⁴

7
- 19544363218
- L.A Zepeda-Ruiz, J. Rottler, S. Han, G.J. Ackland, R. Car and D.J. Srolovitz, Phys. Rev. B 70 (2004) p.060102.
- (2004) Phys. Rev. B , vol.70 , pp. 060102
- Zepeda-Ruiz, L.A.¹ Rottler, J.² Han, S.³ Ackland, G.J.⁴ Car, R.⁵ Srolovitz, D.J.⁶

8
- 36248968765
- V. Gavini, K. Bhattacharya and M. Oritz, Phys. Rev. B 76 (2007) p.180101.
- (2007) Phys. Rev. B , vol.76 , pp. 180101
- Gavini, V.¹ Bhattacharya, K.² Oritz, M.³

9
- 0001479348
- W. Frank, U. Breir, C. Elsasser and M. Fähnle, Phys. Rev. Lett. 77 (1996) p.518.
- (1996) Phys. Rev. Lett. , vol.77 , pp. 518
- Frank, W.¹ Breir, U.² Elsasser, C.³ Fähnle, M.⁴

10
- 0036969330
- S. Han, L.A. Zepeda-Ruiz, G.J. Ackland, R. Car and D.J. Srolovitz, Phys. Rev. B 66 (2002) p.220101.
- (2002) Phys. Rev. B , vol.66 , pp. 220101
- Han, S.¹ Zepeda-Ruiz, L.A.² Ackland, G.J.³ Car, R.⁴ Srolovitz, D.J.⁵

11
- 0033522226
- K. Nordlund, J. Keinonen, M. Ghaly and R.S. Averback, Nature 398 (1999) p.49.
- (1999) Nature , vol.398 , pp. 49
- Nordlund, K.¹ Keinonen, J.² Ghaly, M.³ Averback, R.S.⁴

12
- 32144438902
- C. Domain and A. Legris, Phil. Mag. 85 (2005) p.569.
- (2005) Phil. Mag. , vol.85 , pp. 569
- Domain, C.¹ Legris, A.²

13
- 0036671740
- D.T. Britton and M. Härting, Adv. Eng. Mater. 4 (2002) p.629.
- (2002) Adv. Eng. Mater. , vol.4 , pp. 629
- Britton, D.T.¹ Härting, M.²

14
- 34447503576
- M. Harting, S. Nsengiyumva, A.T. Raji, G. Dollinger, P. Sperr, S.R. Naidoo, T.E. Derry, C.M. Comrie and D.T. Britton, Surf. Coat. Tech. 201 (2007) p.8237.
- (2007) Surf. Coat. Tech. , vol.201 , pp. 8237
- Harting, M.¹ Nsengiyumva, S.² Raji, A.T.³ Dollinger, G.⁴ Sperr, P.⁵ Naidoo, S.R.⁶ Derry, T.E.⁷ Comrie, C.M.⁸ Britton, D.T.⁹

15
- 41949085799
- D. Sheppard, R. Terrell and G. Henkelman, J. Chem. Phys. 128 (2008) p.134106.
- (2008) J. Chem. Phys. , vol.128 , pp. 134106
- Sheppard, D.¹ Terrell, R.² Henkelman, G.³

16
- 0018442503
- C.N. Tome, A.M. Monti and E.J. Savino, Phys. Status Solidi (b) 92 (1970) p.323.
- (1970) Phys. Status Solidi (B) , vol.92 , pp. 323
- Tome, C.N.¹ Monti, A.M.² Savino, E.J.³

17
- 0030563148
- J.R Fernandez, A.M. Monti and R.C. Pasianot, J. Nucl. Mater. 229 (1996) p.1.
- (1996) J. Nucl. Mater. , vol.229 , pp. 1
- Fernandez, J.R.¹ Monti, A.M.² Pasianot, R.C.³

18
- 0345359346
- F. Willaime, J. Nucl. Mater. 323 (2003) p.205.
- (2003) J. Nucl. Mater. , vol.323 , pp. 205
- Willaime, F.¹

19
- 0010664589
- J.K. Lee ed., AIME, New York
- R.A. Johnson and J.R. Beeler, Point defects in Titanim, in Interatomic Potentials and Crystalline Defects, J.K. Lee ed., AIME, New York, 1981, p.165.
- (1981) Point Defects in Titanim, in Interatomic Potentials and Crystalline Defects , pp. 165
- Johnson, R.A.¹ Beeler, J.R.²

20
- 44449107908
- software available at and http://quantum-espresso.org
- S. Baroni, A. Dal Corso, S. De Gironcoli and P. Giannozzi, QUANTUM-ESPRESSO; software available at http://www.pwscf.org, and http://quantum-espresso.org
- QUANTUM-ESPRESSO
- Baroni, S.¹ Dal Corso, A.² De Gironcoli, S.³ Giannozzi, P.⁴

21
- 20544463457
- D. Vanderbilt, Phys. Rev. B 41 (1990) p.7892.
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

22
- 33645898818
- J.P. Perdew and Y. Wang, Phys. Rev. B 45 (1992) p.13244.
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

23
- 1842816907
- H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13 (1976) p.5188.
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

24
- 0000720337
- M. Methfessel and A.T. Paxton, Phys. Rev. B 40 (1989) p.3616.
- (1989) Phys. Rev. B , vol.40 , pp. 3616
- Methfessel, M.¹ Paxton, A.T.²

25
- 0034513054
- G. Henkelman, B.P. Uberuaga and H. Jönsson, J. Chem. Phys. 113 (2000) p.9901.
- (2000) J. Chem. Phys. , vol.113 , pp. 9901
- Henkelman, G.¹ Uberuaga, B.P.² Jönsson, H.³

26
- 0000900286
- L. Fast, J.M. Wills, B. Johansson and O. Eriksson, Phys. Rev. B 51 (1995) p.17431.
- (1995) Phys. Rev. B , vol.51 , pp. 17431
- Fast, L.¹ Wills, J.M.² Johansson, B.³ Eriksson, O.⁴

27
- 33846361964
- F.D. Murnaghan, Proc. Natl. Acad. Sci. USA 30 (1944) p.244.
- (1944) Proc. Natl. Acad. Sci. USA , vol.30 , pp. 244
- Murnaghan, F.D.¹

28
- 19744381786
- D.A. Andersson and S.I. Simak, Phys. Rev. B 70 (2004) p.115108.
- (2004) Phys. Rev. B , vol.70 , pp. 115108
- Andersson, D.A.¹ Simak, S.I.²

29
- 0019114378
- H.K. Sahu, S. Srinivasan and K. Krishan, Radiat. Effect. Lett. 50 (1980) p.73.
- (1980) Radiat. Effect. Lett. , vol.50 , pp. 73
- Sahu, H.K.¹ Srinivasan, S.² Krishan, K.³

30
- 36048941380
- A. Chroneos, R.W. Grimes, B.P. Uberuaga, S. Brotzmann and H. Bracht, Appl. Phys. Lett. 91 (2007) p.192106.
- (2007) Appl. Phys. Lett. , vol.91 , pp. 192106
- Chroneos, A.¹ Grimes, R.W.² Uberuaga, B.P.³ Brotzmann, S.⁴ Bracht, H.⁵

31
- 0004234914
- McGraw Hill, New York
- C.S. Barrett and T.M. Massalski, Structure of Metals, McGraw Hill, New York, 1966.
- (1966) Structure of Metals
- Barrett, C.S.¹ Massalski, T.M.²

32
- 0038657406
- Z.-W. Lu, D. Singh and H. Krakauer, Phys. Rev. B 36 (1987) p.7335.
- (1987) Phys. Rev. B , vol.36 , pp. 7335
- Lu, Z.-W.¹ Singh, D.² Krakauer, H.³

33
- 35949007203
- V. Ozolinš and M. Körling, Phys. Rev. B 48 (1993) p.18304.
- (1993) Phys. Rev. B , vol.48 , pp. 18304
- Ozolinš, V.¹ Körling, M.²

34
- 0008489816
- O. Le Bacq, F. Willaime and A. Pasturel, Phys. Rev. B 59 (1999) p.8508.
- (1999) Phys. Rev. B , vol.59 , pp. 8508
- Le Bacq, O.¹ Willaime, F.² Pasturel, A.³

35
- 37649031468
- R. Ahuja, L. Dubrovinsky, N. Dubrovinskaia, J.M. Osorio, G.M. Mattesini, B. Johansson and T. Le Bihan, Phys. Rev. B 69 (2004) p.184102.
- (2004) Phys. Rev. B , vol.69 , pp. 184102
- Ahuja, R.¹ Dubrovinsky, L.² Dubrovinskaia, N.³ Osorio, J.M.⁴ Mattesini, G.M.⁵ Johansson, B.⁶ Le Bihan, T.⁷

36
- 0035794648
- Y.K. Vohra and P.T. Spencer, Phys. Rev. Lett. 86 (2001) p.3068.
- (2001) Phys. Rev. Lett. , vol.86 , pp. 3068
- Vohra, Y.K.¹ Spencer, P.T.²

37
- 0042029464
- D.E. Trinkle, R.G. Hennig, S.G. Srinivasan, D.M. Hatch, M.D. Jones, H.T. Stokes, R.C. Albers and J.W. Wilkins, Phys. Rev. Lett. 91 (2003) p.025701.
- (2003) Phys. Rev. Lett. , vol.91 , pp. 025701
- Trinkle, D.E.¹ Hennig, R.G.² Srinivasan, S.G.³ Hatch, D.M.⁴ Jones, M.D.⁵ Stokes, H.T.⁶ Albers, R.C.⁷ Wilkins, J.W.⁸

38
- 33750422155
- E.S. Fisher and C.J. Renken, Phys. Rev. 135 (1964) p.A482.
- (1964) Phys. Rev. , vol.135
- Fisher, E.S.¹ Renken, C.J.²

39
- 0024656174
- N. Benbattouche, G.A. Saunders, E.F. Lambson and W. Honle, J. Phys. D 22 (1989) p.670.
- (1989) J. Phys. D , vol.22 , pp. 670
- Benbattouche, N.¹ Saunders, G.A.² Lambson, E.F.³ Honle, W.⁴

40
- 0036681595
- C. Domain, R. Besson and A. Legris, Acta Mater. 50 (2002) p.3513.
- (2002) Acta Mater. , vol.50 , pp. 3513
- Domain, C.¹ Besson, R.² Legris, A.³

41
- 0010701784
- V.O. Shestopal, Sov. Phys. Solid State 7 (1966) p.2798.
- (1966) Sov. Phys. Solid State , vol.7 , pp. 2798
- Shestopal, V.O.¹

42
- 5244241519
- E. Hashimoto, E.A. Smirnov and T. Kino, J. Phys. F Met. Phys. 14 (1984) p.L215.
- (1984) J. Phys. F Met. Phys. , vol.14
- Hashimoto, E.¹ Smirnov, E.A.² Kino, T.³

43
- 33645421764
- D.E. Trinkle, M.D. Jones, R.G. Hennig, S.P. Rudin, R.C. Albers and J.W. Wilkins, Phys. Rev. B 73 (2006) p.094123.
- (2006) Phys. Rev. B , vol.73 , pp. 094123
- Trinkle, D.E.¹ Jones, M.D.² Hennig, R.G.³ Rudin, S.P.⁴ Albers, R.C.⁵ Wilkins, J.W.⁶

44
- 70449576666
- R.M. Tennet (ed.) Edinburgh
- R.M. Tennet (ed.), Science Data Book, Oliver and Boyd, Edinburgh, 1978.
- (1978) Science Data Book, Oliver and Boyd

45
- 0034295223
- K. Carling, G. Wahnström, T.R. Mattsson, A.E. Mattsson, N. Sandberg and G. Grimvall, Phys. Rev. Lett. 85 (2000) p.3862.
- (2000) Phys. Rev. Lett. , vol.85 , pp. 3862
- Carling, K.¹ Wahnström, G.² Mattsson, T.R.³ Mattsson, A.E.⁴ Sandberg, N.⁵ Grimvall, G.⁶

46
- 0000139536
- P.G. Partridge, Met. Rev. 118 (1967) p.169.
- (1967) Met. Rev. , vol.118 , pp. 169
- Partridge, P.G.¹

47
- 0026151494
- R.A. Johnson, Phil. Mag. A 63 (1991) p.865.
- (1991) Phil. Mag. A , vol.63 , pp. 865
- Johnson, R.A.¹

48
- 33144483114
- D. Nguyen-Manh, A.P. Horsfield and S.L. Dudarev, Phys. Rev. B. 73 (2006) p.020101.
- (2006) Phys. Rev. B. , vol.73 , pp. 020101
- Nguyen-Manh, D.¹ Horsfield, A.P.² Dudarev, S.L.³

49
- 0024088045
- D.J. Bacon, J. Nucl. Mater. 159 (1988) p.176.
- (1988) J. Nucl. Mater. , vol.159 , pp. 176
- Bacon, D.J.¹

50
- 0027906576
- D.J. Bacon, J. Nucl. Mater. 206 (1993) p.249.
- (1993) J. Nucl. Mater. , vol.206 , pp. 249
- Bacon, D.J.¹

51
- 84953613402
- G.J. Ackland, Phil. Mag. A 66 (1992) p.917.
- (1992) Phil. Mag. A , vol.66 , pp. 917
- Ackland, G.J.¹

52
- 21344498890
- A.G. Mikhin, Y.N. Osetsky and V.G. Kapinos, Phil. Mag. A 70 (1994) p.25.
- (1994) Phil. Mag. A , vol.70 , pp. 25
- Mikhin, A.G.¹ Osetsky, Y.N.² Kapinos, V.G.³

53
- 0026119655
- M. Igarashi, M. Khantha and V. Vitek, Phil. Mag. B 63 (1991) p.603.
- (1991) Phil. Mag. B , vol.63 , pp. 603
- Igarashi, M.¹ Khantha, M.² Vitek, V.³

54
- 33746770164
- D.J. Oh and R.A. Johnson, J. Mater. Res. 3 (1988) p.471.
- (1988) J. Mater. Res. , vol.3 , pp. 471
- Oh, D.J.¹ Johnson, R.A.²

55
- 0032785792
- R.C. Pasianot and A.M. Monti, J. Nucl. Mater. 264 (1999) p.198.
- (1999) J. Nucl. Mater. , vol.264 , pp. 198
- Pasianot, R.C.¹ Monti, A.M.²

56
- 0001443187
- F. Willaime and C. Massobrio, Phys. Rev. B. 43 (1991) p.11653.
- (1991) Phys. Rev. B. , vol.43 , pp. 11653
- Willaime, F.¹ Massobrio, C.²

57
- 0015974287
- R. Pichon, E. Bisogni and P. Moser, Radiat. Effect. 22 (1974) p.173.
- (1974) Radiat. Effect. , vol.22 , pp. 173
- Pichon, R.¹ Bisogni, E.² Moser, P.³

58
- 0015744138
- R. Pichon, E. Bisogni and P. Moser, Radiat. Effect. 20 (1973) p.159
- (1973) Radiat. Effect. , vol.20 , pp. 159
- Pichon, R.¹ Bisogni, E.² Moser, P.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.