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Journal of the American Chemical Society

Volumn 124, Issue 17, 2002, Pages 4811-4823

Bcc and fcc transition metals and alloys: A central role for the Jahn-Teller effect in explaining their ideal and distorted structures

(2) Lee, Stephen a Hoffmann, Roald a

a Cornell University ^* (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BODY CENTERED CUBIC (BCC) STRUCTURES;

DEFORMATION; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; INTERMETALLICS; PROBABILITY DENSITY FUNCTION; VECTORS;

TRANSITION METAL ALLOYS;

ALLOY; METAL DERIVATIVE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY; ELECTRON TRANSPORT; ELECTRONICS; ENERGY; STRUCTURE ANALYSIS;

EID: 0036570340 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0114557 Document Type: Article

Times cited : (33)

References (100)

1
- 0003869278
- VCH: Weinheim, Germany
- (1970) The Conservation of Orbital Symmetry
- Woodward, R.B.¹ Hoffmann, R.²

2
- 0003787137
- J. Wiley: London
- (1976) Frontier Orbitals and Organic Chemical Reactions
- Fleming, I.¹

3
- 0003947806
- J. Wiley: New York
- (1985) Orbital Interactions in Chemistry
- Albright, T.A.¹ Burdett, J.K.² Whangbo, M.-H.³

4
- 84873055189
- J. Wiley: New York
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

5
- 10644250257
- (1964) Phys. Rev. , vol.136
- Hohenberg, P.¹ Kohn, W.²

6
- 0042113153
- (1965) Phys. Rev. , vol.140
- Kohn, W.¹ Sham, L.J.²

7
- 51149210200
- (1989) Rev. Mod. Phys. , vol.61 , pp. 689
- Jones, R.O.¹ Gunnarsson, O.²

8
- 11944256577
- (1992) Rev. Modern Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, J.D.⁵

9
- 0002826345
- Electronic Structure of the d-band. Its Role in the Crystalline and Magnetic Structures
- Ziman, J. M.. Ed.; Cambridge Press: London
- (1969) Physis of Metals , pp. 340
- Friedel, J.¹

10
- 77956930790
- (1970) Solid State Phys. , vol.24 , pp. 249
- Heine, V.¹ Weaire, D.²

11
- 1542578131
- (1971) J. Phys. Chem. Solids , vol.32 , pp. 285
- Ducastelle, F.¹ Cyrot-Lackmann, F.²

12
- 0003607419
- VCH: New York
- (1988) Solids and Surfaces: Chemist's View of Bonding in Extended Structures
- Hoffmann, R.¹

13
- 0004292611
- Oxford: New York
- (1995) Chemical Bonding in Solids
- Burdett, J.K.¹

14
- 0004151048
- Oxford University Press Inc.: New York
- (1995) Bonding and Structure of Molecules and Solids
- Pettifor, D.¹

15
- 0008942235
- Ediscience: Paris
- (1997) Description Orbitalaire de la Structure Électronique des Solides
- Iung, C.¹ Canadell, E.²

16
- 0031338144
- (1997) Phase Equilib. , vol.18 , pp. 536
- Chu, F.¹ Mitchell, T.E.² Chen, S.P.³ Sob, M.⁴ Siegl, R.⁵ Pope, D.P.⁶

17
- 0033199363
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 7931
- Zhang, C.¹ Hu, P.² Alavi, A.³

18
- 0032136099
- (1998) Surf. Sci. , vol.411 , pp. 186
- Vitos, L.¹ Raban, A.V.² Skriver, H.L.³ Kollar, J.⁴

19
- 0038170699
- (2000) Phys. Rev. B: Condens. Matter. Phys. , vol.61 , pp. 2579
- Soderlind, P.¹ Yang, L.H.² Moriarty, J.A.³ Wills, J.M.⁴

20
- 0041133191
- (2000) Angew. Chem., Int. Ed. , vol.39 , pp. 1246
- Häussermann, U.¹ Simak, S.I.² Ahuja, R.³ Johansson, B.⁴

21
- 0001750751
- (2000) Angew. Chem., Int. Ed. , vol.39 , pp. 1560
- Landrum, G.A.¹ Dronskowski, R.²

22
- 0033660143
- (2000) J. Solid State Chem. , vol.149 , pp. 449
- Matar, S.F.¹ Mavromaras, A.²

23
- 0000736696
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3063
- Burdett, J.K.¹ Lee, S.²

24
- 2142781921
- note

25
- 0035907945
- (2001) Chem.: Eur. J. , vol.7 , pp. 2652
- Todorov, E.¹ Evans, M.² Lee, S.³ Rousseau, R.⁴

26
- 2142682098
- note

27
- 0001172523
- (1996) J. Phys.: Condens. Matter , vol.8 , pp. 799
- Sliwko, V.L.¹ Mohn, P.² Schwarz, K.³ Blaha, P.⁴

28
- 0031146506
- (1997) Comput. Mater. Sci. , vol.8 , pp. 100
- Sob, M.¹ Wang, L.² Vitek, V.³

29
- 0034299026
- (2000) J. Magn. Magn. Mater , vol.220 , pp. 277
- Watanabe, S.¹ Komine, T.² Kai, T.³ Shiiki, K.⁴

30
- 0035882646
- (2001) Mater. Sci. Eng. , vol.A312 , pp. 104
- Suzuki, T.¹ Shimono, M.² Kajiwara, S.³

31
- 0035134906
- (2001) Phys. Rev. B , vol.63 , pp. 52405
- Friak, M.¹ Sob, M.² Vitek, V.³

32
- 0000889647
- (1993) Phys. Rev. B , vol.48 , pp. 5886
- Kraft, T.¹ Marcus, P.M.² Methfessel, M.³ Scheffler, M.⁴

33
- 0347304232
- (1994) Phys. Rev. Lett. , vol.72 , pp. 3076
- Craievich, P.J.¹ Weinert, M.² Sanchez, J.M.³ Watson, R.E.⁴

34
- 4244045008
- (1997) Phys. Rev. Lett. , vol.78 , pp. 3892
- Alippi, P.¹ Marcus, P.M.² Schleffer, M.³

35
- 0000174470
- (1998) Phys. Rev. B , vol.58 , pp. 14051
- Tian, Y.¹ Jona, F.² Marcus, P.M.³

36
- 0001121597
- (2000) J. Appl. Phys. , vol.87 , pp. 5932
- Qiu, S.L.¹ Marcus, P.M.² Ma, H.³

37
- 0034908165
- (2001) Phys. Rev. B , vol.63 , pp. 094113
- Jona, F.¹ Marcus, P.M.²

38
- 0002846082
- (1924) Trans. AIME , vol.70 , pp. 25
- Bain, E.C.¹

39
- 0000588956
- (1937) Proc. R. Soc. , vol.A161 , pp. 220
- Jahn, H.A.¹ Teller, E.²

40
- 33947306004
- (1968) J. Chem. Educ. , vol.45 , pp. 754
- Bartell, L.S.¹

41
- 0000622262
- (1975) Proc. Natl. Acad. Sci. U.S.A. , vol.72 , pp. 2104
- Pearson, R.G.¹

42
- 0003948919
- J. Wiley: New York
- (1980) Molecular Shapes: Theoretical Models of Inorganic Stereochemistry , pp. 170-185
- Burdett, J.K.¹

43
- 0008958157
- (1978) Phys. Rev. B , vol.18 , pp. 4120
- Ashkenazi, J.¹ Darcorogna, M.² Peter, M.³ Talmor, Y.⁴ Walker, E.⁵ Steinemann, S.⁶

44
- 0022147845
- (1985) J. Phys. Soc. Jpn. , vol.54 , pp. 4241
- Asano, S.¹ Ishida, S.²

45
- 0001021004
- (1989) J. Phys. Soc. Jpn. , vol.58 , pp. 3657
- Fujii, S.¹ Ishida, S.² Asano, S.³

46
- 21344453830
- (1995) J. Phys. Soc. Jpn. , vol.64 , pp. 4914
- Sakuma, A.¹ Yuasa, S.² Miyajima, H.³ Otani, Y.⁴

47
- 0000513761
- (1984) Phys. Rev. Lett. , vol.53 , pp. 1080
- Pettifor, D.G.¹ Podloucky, R.²

48
- 0344228772
- (1987) Solid State Phys. , vol.40 , pp. 43
- Pettifor, D.G.¹

49
- 0000858475
- (1991) Acc. Chem. Res. , vol.24 , pp. 249
- Lee, S.¹

50
- 0001449072
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 101
- Lee, S.¹

51
- 0001590786
- (1991) J. Phys.: Cond. Matter , vol.3 , pp. 495
- Cressoni, J.C.¹ Pettifor, D.G.²

52
- 0028270295
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 154
- Lee, S.¹ Foran, B.²

53
- 0002505640
- (1995) J. Alloys Comput. , vol.229 , pp. 66
- Lee, S.¹ Hoistad, L.²

54
- 0001377373
- (1995) J. Alloys Comput. , vol.218 , pp. 244
- Häusermann, U.¹ Nesper, R.²

55
- 0000447556
- (1998) Phys. Rev. Lett. , vol.81 , pp. 886
- Gweon, G.H.¹ Denlinger, J.D.² Clack, J.A.³ Allen, J.W.⁴ Olson, C.G.⁵ DiMasi, E.⁶ Aronson, M.C.⁷ Foran, B.⁸ Lee, S.⁹

56
- 0034337167
- (2000) Prog. Theor. Phys. Suppl. , vol.138 , pp. 47
- Rousseau, R.¹ Tse, J.S.²

57
- 0034227965
- (2000) Phys. Rev. Lett. , vol.85 , pp. 114
- Tse, J.S.¹ Uehara, K.² Rousseau, R.³ Ker, A.⁴ Ratcliffe, C.I.⁵ White, M.A.⁶ Mackay, G.⁷

58
- 0032606392
- (1999) Phys. Rev. Lett. , vol.82 , pp. 4472
- Tse, J.S.¹ Frapper, G.² Ker, A.³ Rousseau, R.⁴ Klug, D.D.⁵

59
- 2142724986
- note

60
- 2142737789
- note

61
- 0002358648
- (1993) Phys. Rev. B , vol.47 , pp. 55
- Kresse, G.¹ Hafner, J.²

62
- 27744460065
- (1994) Phys. Rev. B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

63
- 0030190741
- (1995) Comput. Mater. Sci. , vol.6 , pp. 15
- Kresse, G.¹ Furthmüller, J.²

64
- 2442537377
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

65
- 20544463457
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

66
- 1842816907
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhost, H.J.¹ Pack, J.F.²

67
- 25044437775
- (1994) Phys. Rev. B , vol.49 , pp. 16223
- Blöchl, P.E.¹ Jepsen, O.² Andersen, O.K.³

68
- 0001626591
- (1994) Phys. Rev. B , vol.50 , pp. 14694
- Cohen, R.E.¹ Mehl, M.J.² Papaconstantopoulos, D.A.³

69
- 0000328216
- (1996) Phys. Rev. B , vol.54 , pp. 4519
- Mehl, M.J.¹ Papaconstantopoulos, D.A.²

70
- 0001436270
- (2000) Phys. Rev. B , vol.61 , pp. 7965
- Cerdá, J.¹ Soria, F.²

71
- 24444442070
- (1989) Phys. Rev. B , vol.39 , pp. 12520
- Foulkes, W.M.C.¹ Haydock, R.²

72
- 0000475728
- (1997) Phys. Rev. B , vol.56 , pp. 8575
- Cohen, R.E.¹ Stixrude, L.² Wasserman, E.³

73
- 0001102705
- (1998) Comput. Mater. Sci. , vol.12 , pp. 157
- Ordejón, P.¹

74
- 0000774961
- (1998) Comput. Mater. Sci. , vol.12 , pp. 192
- Ortega, J.¹

75
- 0034339289
- (2000) Phys. Stat. Sol. B , vol.217 , pp. 41
- Frauenheim, T.¹ Seifert, G.² Elstner, M.³ Hainal, S.⁴ Jungnickel, G.⁵ Porezag, D.⁶ Suhai, S.⁷ Scholz, R.⁸

76
- 0033633272
- (2000) Phys. Stat. Sol. B , vol.217 , pp. 357
- Elstner, M.¹ Frauenheim, T.² Kaxiras, E.³ Seifert, G.⁴ Suhai, S.⁵

77
- 36849140653
- (1952) J. Chem. Phys. , vol.20 , pp. 837
- Wolfsberg, M.¹ Helmholz, L.²

78
- 33847799495
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 7240
- Summerville, R.H.¹ Hoffmann, R.²

79
- 0347201389
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 8216
- Hoistad, L.M.¹ Lee, S.²

80
- 33845555971
- (1981) Inorg. Chem. , vol.20 , pp. 1950
- Pyykkö, P.¹ Lohr, L.L.²

81
- 4243813845
- (1973) Phys. Rev. , vol.B8
- Chadi, D.J.¹ Cohen, M.L.²

82
- 0003884610
- Clarendon Press: Oxford
- (1955) Quantum Theory of Solids
- Peierls, R.E.¹

83
- 84944438397
- (1975) Adv. Phys. , vol.24 , pp. 117
- Wilson, J.A.¹ DiSalvo, F.J.² Mahajan, S.³

84
- 0001134065
- (1976) Phys. Rev. Lett. , vol.37 , pp. 602
- Monceau, P.¹ Ong, N.P.² Portis, A.M.³ Meerschaut, A.M.⁴ Rouxel, J.⁵

85
- 0000356889
- (1991) Chem. Rev. , vol.91 , pp. 965
- Canadell, E.¹ Whangbo, M.H.²

86
- 0004073599
- J. Wiley: New York
- (1974) Symmetry Principles in Solid State and Molecular Physics
- Lax, M.¹

87
- 4444362967
- (1979) Phys. Rev. B , vol.19 , pp. 6142
- Varma, C.M.¹ Weber, W.²

88
- 0003004227
- (1995) J. Phys. IV , vol.5
- Herper, H.C.¹ Hoffmann, E.² Entel, P.³ Weber, W.⁴

89
- 84943133401
- (1940) Proc. Cambridge Philos. Soc. , vol.36 , pp. 193
- Coulson, C.A.¹ Rushbrooke, G.S.²

90
- 2142736444
- note

91
- 0003470014
- Holt, Rinehart and Winston: New York
- (1976) Solid State Physics , pp. 145
- Ashcroft, N.W.¹ Mermin, N.D.²

92
- 0003689862
- American Society for Metals: Metal Park, OH
- (1990) Binary Alloy Phase Diagrams, 2nd ed.
- Massalski, T.B.¹ Okamoto, H.² Subramanian, P.R.³

93
- 0004151048
- Oxford Science: Oxford, England
- (1995) Bonding and Structure of Molecules and Solids , pp. 223-226
- Pettifor, D.G.¹

94
- 2142674588
- note

95
- 0003595472
- Institute of Metals, London
- (1962) The Structure of Metals and Alloys
- Hume-Rothery, W.¹ Raynor, G.V.²

96
- 0009638087
- McGraw-Hill, New York
- (1965) Phase Stability and in Metals and Alloys
- Hume-Rothery, W.¹

97
- 0003536561
- ASM International: Materials Park, OH
- (1991) Pearson's Handbook of Crystallographic Data for Intermettallic Phases
- Villars, P.¹ Calvert, L.D.²

98
- 2142722516
- Springer: Berlin, Germany
- (1986) Landoldt-Börnstein New Series: Group 3: Condensed Matter, Volume 19: Magnetic Properties of Metals, Subvolume a: 3d, 4d, 5d-Elements, Alloys, and Compounds , vol.19
- Wijn, H.P.J.¹

99
- 6244221128
- (1966) J. Less Comm. Met. , vol.11 , pp. 308
- Van Vucht, J.H.N.¹

100
- 0009025807
- (1913) Comptes Rendus , vol.157 , pp. 1533
- Friedel, G.¹

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