Spiral chain O 4 form of dense oxygen

Proceedings of the National Academy of Sciences of the United States of America

Volumn 109, Issue 3, 2012, Pages 751-753

  Zhu, Li ^a   Wang, Ziwei ^a   Wang, Yanchao ^a   Zou, Guangtian ^a   Mao, Ho Kwang ^b   Ma, Yanming ^a,c  

^a JILIN UNIVERSITY   (China)

^b GEOPHYSICAL LABORATORY   (United States)

^c BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

Author keywords

Solid oxygen; Spiral chain structure

Indexed keywords

OXYGEN;

ARTICLE; ATOMIC PARTICLE; CHEMICAL BINDING; CRYSTAL STRUCTURE; DISSOCIATION; ELECTRON; ENTHALPY; MOLECULAR INTERACTION; MOLECULAR WEIGHT; PHASE TRANSITION; PHONON; PRESSURE; PRIORITY JOURNAL; SOLID;

EID: 84863025372     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1119375109     Document Type: Article

References (45)

1. Freiman YA, Jodl HJ (2004) Solid oxygen. Phys Rep 401:1-228.
2. Young DA (1991) Phase Diagrams of the Elements (University of California Press, Berkeley).
3. Horl E (1962) Structure and structure imperfections of solid β-oxygen. Acta Crystallogr 15:845-850.
4. LeSar R, Etters RD (1988) Character of the α-β phase transition in solid oxygen. Phys Rev B 37:5364-5370.
5. Meier RJ, Helmholdt RB (1984) Neutron-diffraction study of α- and β-oxygen. Phys Rev B 29:1387-1393.
6. 2 at 9.6 GPa and 297 K. Acta Crystallogr B 39:153-157.
7. Gorelli FA, Santoro M, Ulivi L, Hanfland M (2002) Crystal structure of solid oxygen at high pressure and low temperature. Phys Rev B 65:172106.
8. Goncharenko IN, Makarova OL, Ulivi L (2004) Direct determination of the magnetic structure of the delta phase of oxygen. Phys Rev Lett 93:055502.
9. 8 cluster structure of the epsilon phase of solid oxygen. Phys Rev Lett 97:085503.
10. 8 molecular lattice in the ε phase of solid oxygen. Nature 443:201-204.
11. Meng Y, et al. (2008) Inelastic x-ray scattering of dense solid oxygen: Evidence for intermolecular bonding. Proc Natl Acad Sci USA 105:11640-11644.
12. Desgreniers S, Vohra YK, Ruoff AL (1990) Optical response of very high density solid oxygen to 132 GPa. J Phys Chem 94:1117-1122.
13. Akahama Y, et al. (1995) New high-pressure structural transition of oxygen at 96 GPa associated with metallization in a molecular solid. Phys Rev Lett 74:4690-4693.
14. Shimizu K, Suhara K, Ikumo M, Eremets MI, Amaya K (1998) Superconductivity in oxygen. Nature 393:767-769. (Pubitemid 28299482)
15. Ma Y, Oganov AR, Glass CW(2007) Structure of the metallic zeta -phase of oxygen and isosymmetric nature of the ε-ζ phase transition: Ab initio simulations. Phys Rev B 76:064101.
16. Weck G, Desgreniers S, Loubeyre P, Mezouar M (2009) Single-crystal structural characterization of the metallic phase of oxygen. Phys Rev Lett 102:255503.
17. Pickard CJ, Needs RJ (2007) Structure of phase III of solid hydrogen. Nat Phys 3:473-476.
18. Fujii Y, et al. (1989) Evidence for molecular dissociation in bromine near 80 GPa. Phys Rev Lett 63:536-539.
19. Takemura K, Minomura S, Shimomura O, Fujii Y (1980) Observation of molecular dissociation of iodine at high pressure by x-ray diffraction. Phys Rev Lett 45:1881-1884.
20. Eremets MI, Hemley RJ, Mao H-k, Gregoryanz E (2001) Semiconducting non-molecular nitrogen up to 240 GPa and its low-pressure stability. Nature 411:170-174. (Pubitemid 32457799)
21. Ma Y, Oganov AR, Li Z, Xie Y, Kotakoski J (2009) Novel high pressure structures of polymeric nitrogen. Phys Rev Lett 102:065501.
22. Wang Y, Lv J, Zhu L, Ma Y (2010) Crystal structure prediction via particle-swarm optimization. Phys Rev B 82:094116.
23. Li P, Gao G, Wang Y, Ma Y (2010) Crystal structures and exotic behavior of magnesium under pressure. J Phys Chem C 114:21745-21749.
24. Lv J, Wang Y, Zhu L, Ma Y (2011) Predicted novel high-pressure phases of lithium. Phys Rev Lett 106:015503.
25. Zhu L, et al. (2011) Substitutional alloy of Bi and Te at high pressure. Phys Rev Lett 106:145501.
26. Wang Y, et al. (2011) High pressure partially ionic phase of water ice. Nat Commun 2:563.
27. Guillaume CL, et al. (2011) Cold melting and solid structures of dense lithium. Nat Phys 7:211-214.
28. 8molecule. J Chem Phys 92:1887-1892.
29. Degtyareva O, et al. (2005) Novel chain structures in group VI elements. Nat Mater 4:152-155. (Pubitemid 40178715)
30. Li Y, et al. (2006) Phonon instabilities in rocksalt AgCl and AgBr under pressure studied within density functional theory. Phys Rev B 74:054102.
31. Xie Y, et al. (2007) Electronic and phonon instabilities in face-centered-cubic alkali metals under pressure studied using ab initio calculations. Phys Rev B 75:064102.
32. 2. Phys Rev B 73:094304.
33. 2-type high-pressure phase of magnesium hydride predicted by ab initio phonon calculations. Phys Rev B 75:144109.
34. Pickard CJ, Needs RJ (2009) High-pressure phases of nitrogen. Phys Rev Lett 102:125702.
35. Guillaume CL, et al. (2011) Cold melting and solid structures of dense lithium. Nat Phys 7:211-214.
36. Ma Y, et al. (2009) Transparent dense sodium. Nature 458:182-185.
37. Kresse G, Furthmüller J (1996) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169-11186.
38. Heyd J, Scuseria GE, Ernzerhof M (2003) Hybrid functionals based on a screened Coulomb potential. J Chem Phys 118:8207-8215.
39. Paier J, et al. (2006) Screened hybrid density functionals applied to solids. J Chem Phys 124:154709.
40. Blochl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953-17979.
41. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59:1758-1775.
42. Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:5188-5192.
43. Parlinski K, Li ZQ, Kawazoe Y (1997) First-principles determination of the soft mode in cubic ZrO2. Phys Rev Lett 78:4063-4066. (Pubitemid 127655428)
44. 2 at high pressures. Phys Rev B 78:134106.
45. Blaha P, Schwarz K, Madsen GKH, Kvasnicka D, Luitz J (2001) WIEN2K - An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Technische Universität Wien, Wien, Austria).