Ab initio calculations of the structure and mechanical properties of vanadium oxides

Journal of Physics Condensed Matter

Volumn 21, Issue 14, 2009, Pages

  Reeswinkel, Thomas ^a   Music, Denis ^a   Schneider, Jochen M ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; BOND STRENGTH; BULK MODULUS; CHEMICAL BONDINGS; DE-COHESION; DEFORMABLE STRUCTURES; IONIC BONDING; LARGE ANISOTROPY; SCREENED COULOMB POTENTIALS; VALENCY; VANADIUM OXIDES;

BOND STRENGTH (MATERIALS); CHEMICAL BONDS; ELASTIC CONSTANTS; ELASTIC MODULI; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; MECHANICAL PROPERTIES; VANADIUM; VANADIUM COMPOUNDS;

CRYSTAL STRUCTURE;

EID: 67649218381     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/14/145404     Document Type: Article

References (67)

1. Stringer J 1965 J. Less-Common Met. 8 1-14
2. Katzke H, Tolédano P and Depmeier W 2003 Phys. Rev. B 68 024109
3. Fiermans L, Clauws P, Lambrecht W, Vandenbroucke L and Vennik J 1980 Phys. Status Solidi a 59 485-504
4. Schwingenschlögl U and Eyert V 2004 Ann. der Phys. 13 475-510
5. Andersson G 1954 Acta Chem. Scand. 8 1599-606
6. Tilley R J D and Hyde B G 1970 J. Phys. Chem. Solids 31 1613-9
7. Gellings P J 1985 Catalysis vol 7 ed G Webb and G C Bond (London: The Royal Society of Chemistry)
8. Kresse G, Surnev S, Ramsey M G and Netzer F P 2001 Surf. Sci. 492 329-44
9. Chakrabarti A, Hermann K, Druzinic R, Witko M, Wagner F and Petersen M 1999 Phys. Rev. B 59 10583-90
10. Hermann K, Witko M, Druzinic R, Chakrabarti A, Tepper B, Elsner M, Gorschluter A, Kuhlenbeck H and Freund H J 1999 J. Electron Spectrosc. Relat. Phenom. 98/99 245-56
11. Brzdov V, Ganduglia-Pirovano M V and Sauer J 2004 Phys. Rev. B 69 165420
12. Ganduglia-Pirovano M V and Sauer J 2004 Phys. Rev. B 70 045422
13. Morin F J 1959 Phys. Rev. Lett. 3 34-6
14. Goodenough J B 1971 Annu. Rev. Mater. Sci. 1 101-38
15. Honig J M and Zandt L L V 1975 Annu. Rev. Mater. Sci. 5 225-78
16. Zylbersztejn A and Mott N F 1975 Phys. Rev. B 11 4383-95
17. Shin S, Suga S, Taniguchi M, Fujisawa M, Kanzaki H, Fujimori A, Daimon H, Ueda Y, Kosuge K and Kachi S 1990 Phys. Rev. B 41 4993-5009
18. Imada M, Fujimori A and Tokura Y 1998 Rev. Mod. Phys. 70 1039-263
19. Schwingenschlögl U, Eyert V and Eckern U 2003 Europhys. Lett. 64 682-8
20. Adler D 1968 Rev. Mod. Phys. 40 714-36
21. Kachi S, Kosuge K and Okinaka H 1973 J. Solid State Chem. 6 258-70
22. Canfield P C, Thompson J D and Gruner G 1990 Phys. Rev. B 41 4850-3
23. Kawashima K, Ueda Y, Kosuge K and Kachi S 1974 J. Cryst. Growth 26 321-2
24. Blum R P, Niehus H, Hucho C, Fortrie R, Ganduglia-Pirovano M V, Sauer J, Shaikhutdinov S and Freund H J 2007 Phys. Rev. Lett. 99 226103
25. Chakraverty B K, Sienko M J and Bonnerot J 1978 Phys. Rev. B 17 3781-9
26. Franz R, Neidhardt J, Sartory B, Kaindl R, Tessadri R, Polcik P, Derflinger V and Mitterer C 2006 Tribol. Lett. 23 101-7
27. Fateh N, Fontalvo G A, Gassner G and Mitterer C 2007 Tribol. Lett. 28 1-7
28. Fateh N, Fontalvo G A and Mitterer C 2008 Tribol. Lett. 30 21-6
29. Mayrhofer P H, Hovsepian P E, Mitterer C and Münz W D 2004 Surf. Coat. Technol. 177/178 341-7
30. Pugh S F 1954 Phil. Mag. 45 823-43
31. Vitos L, Korzhavyi P A and Johansson B 2003 Nat. Mater. 2 25-8
32. Hartmann H and Mässing W 1951 Z. Anorg. Allg. Chem. 266 98-104
33. Newnham R E and de Haan Y M 1962 Z. Kristallogr. 117 235-7
34. Westman S 1961 Acta Chem. Scand. 15 217
35. Ohno T, Nakamura Y and Nagakura S 1985 J. Solid State Chem. 56 318-24
36. Wilhelmi K A and Waltersson K 1970 Acta Chem. Scand. 24 3409-11
37. Darriet J and Galy J 1972 J. Solid State Chem. 4 357-61
38. Enjalbert R and Galy J 1986 Acta Crystallogr. C 42 1467-9
39. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864-71
40. Kresse G and Joubert D 1999 Phys. Rev. B 59 1758-75
41. Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244-9
42. Blöchl P E 1994 Phys. Rev. B 50 17953-79
43. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188-92
44. Neuburger M C 1936 Z. Kristallogr. 93 314-5
45. Sutton L E (ed) 1965 Table of Interatomic Distances and Configuration in Molecules and Ions, Supplement 1956-1959 Special Publication No. 18 (London: The Chemical Society)
46. Birch F 1978 J. Geophys. Res. 83 1257-68
47. Mehl M J, Osburn J E, Papaconstantopoulos D A and Klein B M 1990 Phys. Rev. B 41 10311-23
48. Mehl M J, Klein B M and Papaconstantopoulos D A 1994 Intermetallic Compounds: Principles and Applications ed J H Westbrook and R L Fleischer (London: Wiley)
49. Ravindran P, Fast L, Korzhavyi P A, Johansson B, Wills J and Eriksson O 1998 J. Appl. Phys. 84 4891-904
50. Fast L, Wills J M, Johansson B and Eriksson O 1995 Phys. Rev. B 51 17431-8
51. Snyders R, Music D, Sigumonrong D, Schelnberger B, Jensen J and Schneider J M 2007 Appl. Phys. Lett. 90 193902
52. Music D, Sun Z and Schneider J M 2006 Solid State Commun. 137 306-9
53. Albe K 1997 Phys. Rev. B 55 6203-10
54. Ooi N, Rairkar A and Adams J B 2006 Carbon 44 231-42
55. Momma K and Izumi F 2008 J. Appl. Crystallogr. 41 653-8
56. Fu C L 1990 J. Mater. Res. 5 971-9
57. Lazar P and Podloucky R 2006 Phys. Rev. B 73 104114
58. Banus M D, Reed T B and Strauss A J 1972 Phys. Rev. B 5 2775-84
59. Watanabe D, Andersson B, Gjønnes J and Terasaki O 1974 Acta Crystallogr. A 30 772-6
60. Morinaga M and Cohen J B 1976 Acta Crystallogr. A 32 387-95
61. Gieske J H and Barsch G R 1968 Phys. Status Solidi 29 121-31
62. Isaak D G, Carnes J D, Anderson O L, Cynn H and Hake E 1998 Phys. Chem. Miner. 26 31-43
63. Wallace D C 1972 Thermodynamics of Crystals (New York: Wiley)
64. Kittel C 1996 Introduction to Solid State Physics 7th edn (New York: Wiley)
65. Holm B, Ahuja R and Johansson B 2001 Appl. Phys. Lett. 79 1450
66. Music D, Sun Z, Voevodin A A and Schneider J M 2006 Solid State Commun. 139 139-43
67. Music D, Houben A, Dronskowski R and Schneider J M 2007 Phys. Rev. B 75 174102