Origin of bec to fee phase transition under pressure in alkali metals

New Journal of Physics

Volumn 10, Issue , 2008, Pages

  Xie, Y ^a   Ma, Y M ^a,b   Cui, T ^a   Li, Y ^a   Qiu, J ^a   Zou, G T ^a  

^a JUIN UNIVERSITY   (China)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CESIUM; CHARGE TRANSFER; ELASTIC CONSTANTS; ION EXCHANGE; LIGHT METALS; LITHIUM; MASS TRANSFER; METALS; RUBIDIUM; SODIUM;

AB INITIO CALCULATIONS; ANISOTROPIC DEFORMATIONS; BODY-CENTERED-CUBIC (BCC); DRIVING FORCES; ELASTIC PROPERTIES; FACE-CENTERED CUBIC (FCC); FERMI SURFACE (FS); HIGH PRESSURE (HP); SOFT MODES; TOTAL ENERGIES; TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31); TRANSVERSE ACOUSTIC (TA) PHONONS; UNDER PRESSURE; ZONE BOUNDARIES; ZONE CENTER (ZC);

SURFACE CHARGE;

EID: 47149088850     PISSN: 13672630     EISSN: None     Source Type: Journal    
DOI: 10.1088/1367-2630/10/6/063022     Document Type: Article

References (69)

1. Fortov V E, Yakushev V V, Kagan K L, Lomonosov I V, Postnov V I and Yakusheva T I 1999 JETP Lett. 70 628
2. Struzhkin V V, Eremets MI, Gan W, Mao H K and Hemley R J 2002 Science 298 1213
3. Wittig J 1970 Phys. Rev. Lett. 24 812
4. Zha C S and Boehler R 1985 Phys. Rev. B 31 3199
5. Gregoryanz E, Degtyareva O, Somayazulu M, Hemley R J and Mao H K 2005 Phys. Rev. Lett. 94 185502
6. Wigner E and Seitz F 1933 Phys. Rev. 43 804
7. Hanfland M, Syassen K, Christensen N E and Novikov D L 2000 Nature 408 174
8. Hanfland M, Loa I and Syassen K 2002 Phys. Rev. B 65 184109
9. Nelmes R J, McMahon M I, Loveday J S and Rekhi S 2002 Phys. Rev. Lett. 88 155503
10. McMahon M I, Rekhi S and Nelmes R J 2001 Phys. Rev. Lett. 87 055501
11. McMahon M I, Nelmes R J and Rekhi S 2001 Phys. Rev. Lett. 87 255502
12. Olinger B and Shaner J W 1983 Science 219 1071
13. Takemura K and Syassen K 1982 Solid State Commun. 44 1161
14. Hall H T, Merrill L and Barnett J D 1964 Science 146 1297
15. Katzke H and Tolédano P 2005 Phys. Rev. B 71 184101
16. McMahon M I, Nelmes R J, Schwarz U and Syassen K 2006 Phys. Rev. B 74 140102
17. Takemura K and Syassen K 1983 Phys. Rev. B 28 1193
18. Xie Y, Tse J S, Cui T, Oganov A R, He Z, Ma Y M and Zou G T 2007 Phys. Rev. B 75 064102
19. McMahan A K 1984 Phys. Rev. B 29 5982
20. Skriver H L 1985 Phys. Rev. B 31 1909
21. Boettger J C and Trickey S B 1985 Phys. Rev. B 32 3391
22. Boettger J C and Albers R C 1989 Phys. Rev. B 39 3010
23. Rodriguez-Prieto A, Bergara A, Silkin V M and Echenique P M 2006 Phys. Rev. B 74 172104
24. Degtyareva V F 2003 High Press. Res. 23 253
25. Degtyareva V F 2006 Phys. - Usp. 49 369
26. Neaton J B and Ashcroft N W 2001 Phys. Rev. Lett. 86 2830
27. Baroni S, de Gironcoli S, Corso A and Gianozzi P 2001 Rev. Mod. Phys. 73 515
28. Xie J, Chen S P, Tse J S, Klug D D, Li Z Q, Uehara K and Wang L G 2000 Phys. Rev. B 62 3624
29. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
30. Perdew J P and Burke K 1996 Int. J. Quantum Chem. 57 309
31. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
32. Blaha P, Schwarz K, Madsen G K H, Kvasnicka D and Luitz J 2001 WIEN2K, An Augmented-Plane-Wave + Local Orbitals Program for Calculating Crystal Properties (Vienna: Karlheinz Schwarz Technical University of Wien) ISBN 2-9501031-1-2
33. Baroni S, Giannozzi P and Testa A 1987 Phys. Rev. Lett. 58 1861
34. Frank W, Elsässer C and Fähnle M 1995 Phys. Rev. Lett. 74 1791
35. Parlinski K, Li Z Q and Kawazoe Y 1997 Phys. Rev. Lett. 78 4063
36. Baroni S, Dal Corso A, de Gironcoli S and Giannozzi P 2001 http://www.quantum-espresso.org/
37. Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
38. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
39. Alfè D 1998 http://chianti.geol.ucl.ac.uk/~dario
40. Kresse G and Hafner J 1993 Phys. Rev. B 47 558
41. Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
42. Blöchl P E 1994 Phys. Rev. B 50 17953
43. Birch F 1947 Phys. Rev. 71 809
44. Dacorogna M M and Cohen M L 1986 Phys. Rev. B 34 4996
45. Sigalas M, Bacalis N C, Papaconstantopoulos D A, Mehl M J and Switendick A C 1990 Phys. Rev. B 42 11637
46. Winzenick M, Vijayakumar V and Holzapfel W B 1994 Phys. Rev. B 50 12381
47. Takemura K, Minomura S and Shimomura O 1982 Phys. Rev. Lett. 49 1772
48. Swenson C A 1955 Phys. Rev. 99 423
49. Hanfland M, Loa I, Syassen K, Schwarz U and Takemura K 1999 Solid State Commun. 112 123
50. Shi L and Papaconstantopoulos D A 2006 Phys. Rev. B 73 184516
51. Beg M M and Nielsen M 1976 Phys. Rev. B 14 4266
52. Woods ADB, Brockhouse B N, March R H, Stewart A T and Bowers R 1962 Phys. Rev. 128 1112
53. Cowley R A, Woods ADB and Dolling G 1966 Phys. Rev. 150 487
54. Copley J R D and Brockhouse B N 1973 Can. J. Phys. 51 657
55. Nücker N and Buchenau U 1985 Phys. Rev. B 31 5479
56. Felice R A, Trivisonno J and Schuele D E 1977 Phys. Rev. B 16 5173
57. Magaña L F and Vázquez G J 1990 J. Phys.: Condens. Matter 2 4807
58. Mehl M J 1993 Phys. Rev. B 47 2493
59. Martinson R H 1969 Phys. Rev. 178 902
60. Kollarits F J and Trivison J 1968 J. Phys. Chem. Solids 29 2133
61. Sliwko V L, Mohn P, Schwarz K and Blaha P 1996 J. Phys.: Condens. Matter 8 799
62. Katsnelson M I, Sinko G V, Smirov N A, Trefilov A V and Khromov K Y 2000 Phys. Rev. B 61 14420
63. Einarsdotter K, Sadigh B, Grimvall G and Ozoliņš V 1997 Phys. Rev. Lett. 79 2073
64. Bain E C 1924 Trans. AIME 70 25
65. Smith H G, Berliner R and Jorgense J D 1989 Physica B 156 53
66. Giebultowicz T M, Overhauser A W and Werner S A 1986 Phys. Rev. Lett. 46 1485
67. Wei S H and Krakauer H 1985 Phys. Rev. Lett. 55 1200
68. Templeton I M 1982 J. Phys. F: Met. Phys. 12 L121
69. Huang X Y, Rabe K M and Ackland G J 2003 Phys. Rev. B 67 024101