Diffuse scattering in Ih ice

Journal of Physics Condensed Matter

Volumn 26, Issue 26, 2014, Pages

  Wehinger, Björn ^a   Chernyshov, Dmitry ^b   Krisch, Michael ^a   Bulat, Sergey ^c   Ezhov, Victor ^c   Bosak, Alexeï ^a  

^a EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^b Swiss Norwegian Beamlines European Synchrotron   (France)

^c PETERSBURG NUCLEAR PHYSICS INSTITUTE   (Russian Federation)

Author keywords

ab initio calculation; diffuse x ray scattering; ice Ih; inelastic x ray scattering; lattice dynamics; Monte Carlo modelling; static disorder

Indexed keywords

CALCULATIONS; CRYSTAL LATTICES; LATTICE VIBRATIONS; SCATTERING; SOLIDS; X RAY SCATTERING; X RAYS;

AB INITIO CALCULATIONS; APPROXIMANTS; DIFFUSE SCATTERING; DIFFUSE X-RAY SCATTERING; ICE LAYERS; INELASTIC X RAY SCATTERING; STATIC DISORDER; SUBGLACIAL LAKES;

ICE;

EID: 84902279872     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/26/265401     Document Type: Article

References (37)

1. Bartels-Rausch T et al 2012 Ice structures, patterns and processes: a view across the icefields Rev. Mod. Phys. 84 885-944
2. Petrenko V F and Whitworth R W 1991 Physics of Ice (Oxford: Oxford University Press)
3. Kuhs W F, Sippel C, Falenty A and Hansen T C 2012 Extent and relevance of stacking disorder in 'ice Ic' Proc. Natl Acad. Sci. 109 21259-64
4. Murray B J, Knopf D A and Bertram A K 2005 The formation of cubic ice under conditions relevant to earth's atmosphere Nature 434 202-5
5. Kobayashi T and Kuroda T 1987 Snow crystals Morphology of Crystals ed I Sunagawa (Tokyo: Terra Scientific Publishing)
6. Ogura M and Hondoh T 1988 Stacking faults in ice crystals Lattice Defects in Ice Crystals ed I Sunagawa (Sapporo: Hokkaido University Press)
7. Pauling L 1935 The structure and entropy of ice and of other crystals with some randomness of atomic arrangement J. Am. Chem. Soc. 57 2680-4
8. Kuhs W F and Lehmann M S 1986 Crystalline hydrates Water Science Reviews ed F Franks (Cambridge: Cambridge University Press)
9. Strässle T, Saitta A M, Klotz S and Braden M 2004 Phonon dispersion of ice under pressure Phys. Rev. Lett. 93 225901
10. Renker B 1969 Phonon dispersion in D2O-ice Phys. Lett. A 30 493-4
11. Bennington S M, Li J, Harris M J and Ross D K 1999 Phonon softening in ice Ih Physica B 263-264 396-9
12. Fukazawa H, Ikeda S, Oguro M, Bennington S M and Mae S 2003 Phonon dispersion curves in KOD-doped ice observed by neutron scattering J. Chem. Phys. 118 1577-80
13. Klug D D, Whalley E, Svensson E C, Root J H and Sears V F 1991 Densities of vibrational states and heat capacities of crystalline and amorphous H2O ice determined by neutron scattering Phys. Rev. B 44 841-4
14. Schober H, Koza M, Tlle A, Fujara F, Angell C A and Bhmer R 1997 Amorphous polymorphis in ice investigated by inelastic neutron scattering Physica 241-243 897-902
15. Ruocco G, Sette F, Krisch M, Bergmann U, Masciovecchio C and Verbeni R 1996 Line broadening in the collective dynamics of liquid and solid water Phys. Rev. B 54 14892-5
16. Koza M M, Geil B, Scheuermann M, Schober H, Monaco G and Requardt H 2008 Vibrational dynamics of very high density amorphous ice studied by high-resolution x-ray spectroscopy Phys. Rev. B 78 224301
17. Owston P G 1949 Diffuse scattering of x-rays by ice Acta Crystallogr. 2 222-8
18. Li J C, Nield V M, Ross D K, Whitworth R W, Wilson C C and Keen D A 1994 Diffuse neutron-scattering study of deuterated ice Ih Phil. Mag. B 69 1173-81
19. Bosak A, Krisch M, Chernyshov D, Winkler B, Milman V, Refson K and Schulze-Briese C 2012 New insights into the lattice dynamics of α-quartz Z. Kristallogr. 227 84-91
20. Kuo J L, Klein M L and Kuhs W F 2005 The effect of proton disorder on the structure of ice-Ih: a theoretical study J. Chem. Phys. 123 134505
21. Jackson S M, Nield V M, Whitworth R W, Oguro M and Wilson C C 1997 Single-crystal neutron diffraction studies of the structure of ice XI J. Phys. Chem. B 101 6142-5
22. Jouzel J, Petit J R, Souchez R, Barkov N I, Lipenkov V Y, Raynaud D, Stievenard M, Vassiliev N I, Verbeke V and Vimeux F 1999 More than 200 m of lake ice above subglacial lake Vostok, Antarctica Science 286 2138-41
23. Kraft P et al 2009 Performance of single-photon-counting PILATUS detector modules J. Synchrotron Radiat. 16 368-75
24. Agilent Technologies, data collection and reduction GUI version 171.36.24 http://technoinfo.co.uk/catalog/12.html
25. Krisch M and Sette F 2007 Inelastic x-ray scattering from phonons Light Scattering in Solids: Novel Materials and Techniques Topics in Applied Physics vol 108 (New York: Springer)
26. Gonze X and Lee C 1997 Dynamical matrices, Born effective charges, dielectric permittivity tensors and interatomic force constants from density-functional perturbation theory Phys. Rev. B 55 10355-68
27. Refson K, Tulip P R and Clark S J 2006 Variational density-functional perturbation theory for dielectrics and lattice dynamics Phys. Rev. B 73 155114
28. Clark S, Segall M, Pickard C, Hasnip P, Probert M, Refson K and Payne M 2005 First principles methods using CASTEP Z. Kristallogr. 220 567-70
29. Bennet J W and Rappe A M Pseudopotential database www. sas.upenn.edu/rappegroup/research/pseudo-potential-gga.html
30. Howe R and Whitworth R W 1989 A determination of the crystal structure of ice XI J. Chem. Phys. 90 4450-3
31. Pamuk B, Soler J M, Ramrez R, Herrero C P, Stephens P W, Allen P B and Fernndez-Serra M V 2012 Anomalous nuclear quantum effects in ice Phys. Rev. Lett. 108 193003
32. Xu R Q and Chiang T C 2005 Determination of phonon dispersion relations by x-ray thermal diffuse scattering Z. Kristallogr. 220 1009-16
33. Beverley M N and Nield V M 1997 Analysis of single-crystal neutron diffuse scattering from ice Ih J. Phys. Chem. B 101 6188-91
34. Schneider J and Zeyen C 1980 Elastic diffuse neutron scattering due to D-D correlation functions seen in Ih ice J. Phys. C: Solid State Phys. 13 4121
35. Villain J 1972 The 3-dimensional eight vertex model and the proton-proton correlation functions in ice Solid State Commun. 10 967-70
36. Youngblood R and Axe J D 1978 Neutron-scattering study of short-range order in a model two-dimensional ferroelectric Phys. Rev. B 17 3639-49
37. Henley C L 2010 Coulomb phase in frustrated systems Annu. Rev. Condens. Matter Phys. 1 179-210