Highly compressed ammonia forms an ionic crystal
10.1038/nmat2261
Crossref journal-article
Springer Science and Business Media LLC
Nature Materials (297)
Bibliography

Pickard, C. J., & Needs, R. J. (2008). Highly compressed ammonia forms an ionic crystal. Nature Materials, 7(10), 775–779.

Authors 2
  1. Chris J. Pickard (first)
  2. R. J. Needs (additional)
References 33 Referenced 171
  1. Martin, R. M. Electronic Structure: Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004). (10.1017/CBO9780511805769) / Electronic Structure: Basic Theory and Practical Methods by RM Martin (2004)
  2. Reed, J. W. & Harris, P. M. Neutron diffraction study of solid deuteroammonia. J. Chem. Phys. 35, 1730–1737 (1961). (10.1063/1.1732137) / J. Chem. Phys. by JW Reed (1961)
  3. Hewat, A. W. & Riekel, C. The crystal structure of deuteroammonia between 2 and 180 K by neutron powder profile refinement. Acta Crystallogr. A A35, 569–571 (1979). (10.1107/S0567739479001340) / Acta Crystallogr. A by AW Hewat (1979)
  4. Leclerq, F., Damay, P. & Foukani, M. Structure of powder deuteroammonia between 2 and 180 K revisited: A refinement of the neutron diffraction pattern taking into account molecular reorientations: analysis of the diffuse intensity. J. Chem. Phys. 102, 4400–4408 (1995). (10.1063/1.469489) / J. Chem. Phys. by F Leclerq (1995)
  5. Loveday, J. S. et al. Structure of deuterated ammonia IV. Phys. Rev. Lett. 76, 74–77 (1996). (10.1103/PhysRevLett.76.74) / Phys. Rev. Lett. by JS Loveday (1996)
  6. Datchi, F. et al. Solid ammonia at high pressure: A single-crystal x-ray diffraction study to 123 GPa. Phys. Rev. B 73, 174111 (2006). (10.1103/PhysRevB.73.174111) / Phys. Rev. B by F Datchi (2006)
  7. Nelson, D. D. Jr., Fraser, G. T. & Klemperer, W. Does ammonia hydrogen bond? Science 238, 1670–1674 (1987). (10.1126/science.238.4834.1670) / Science by DD Nelson Jr. (1987)
  8. Hubbard, W. B. Interiors of the giant planets. Science 214, 145–149 (1981). (10.1126/science.214.4517.145) / Science by WB Hubbard (1981)
  9. Sasselov, D. D. Extrasolar planets. Nature 451, 29–31 (2008). (10.1038/451029a) / Nature by DD Sasselov (2008)
  10. Cavazzoni, C. et al. Superionic and metallic states of water and ammonia at giant planet conditions. Science 283, 44–46 (1999). (10.1126/science.283.5398.44) / Science by C Cavazzoni (1999)
  11. Gauthier, M., Pruzan, Ph., Chervin, J. C. & Besson, J. M. Raman scattering study of ammonia up to 75 GPa: Evidence for bond symmetrization at 60 GPa. Phys. Rev. B 37, 2102–2115 (1988). (10.1103/PhysRevB.37.2102) / Phys. Rev. B by M Gauthier (1988)
  12. Ninet, S., Datchi, F., Saitta, A. M., Lazzeri, M. & Canny, B. Raman spectrum of ammonia IV. Phys. Rev. B 74, 104101 (2006). (10.1103/PhysRevB.74.104101) / Phys. Rev. B by S Ninet (2006)
  13. Gauthier, M., Pruzan, Ph., Chervin, J. C. & Polian, A. Brillouin study of liquid and solid ammonia up to 20 GPa. Solid State Commun. 68, 149–153 (1988). (10.1016/0038-1098(88)90263-3) / Solid State Commun. by M Gauthier (1988)
  14. Sakashita, M., Yamawaki, H., Fujihisa, H. & Aoki, K. Phase study of NH3 to 100 GPa by infrared absorption. Rev. High Pressure Sci. Technol. 7, 796–798 (1998). (10.4131/jshpreview.7.796) / Rev. High Pressure Sci. Technol. by M Sakashita (1998)
  15. Kamb, B. & Davis, B. L. Ice VII, the densest form of ice. Proc. Natl Acad. Sci. USA 52, 1433–1439 (1964). (10.1073/pnas.52.6.1433) / Proc. Natl Acad. Sci. USA by B Kamb (1964)
  16. Struzhkin, V. V., Goncharov, A. F., Hemley, R. J. & Mao, H.-K. Cascading Fermi resonances and the soft mode in dense ice. Phys. Rev. Lett. 78, 4446–4449 (1997). (10.1103/PhysRevLett.78.4446) / Phys. Rev. Lett. by VV Struzhkin (1997)
  17. Goncharov, A. F., Struzhkin, V. V., Mao, H.-K. & Hemley, R. J. Raman spectroscopy of dense H2O and the transition to symmetric hydrogen bonds. Phys. Rev. Lett. 83, 1998–2001 (1999). (10.1103/PhysRevLett.83.1998) / Phys. Rev. Lett. by AF Goncharov (1999)
  18. Aoki, K., Yamawaki, H. & Sakashita, M. Observation of Fano interference in high-pressure ice VII. Phys. Rev. Lett. 76, 784–786 (1996). (10.1103/PhysRevLett.76.784) / Phys. Rev. Lett. by K Aoki (1996)
  19. Fortes, A. D., Brodholt, J. P., Wood, I. G. & Voc˘adlo, L. Hydrogen bonding in solid ammonia from ab initio calculations. J. Chem. Phys. 118, 5987–5994 (2003). (10.1063/1.1555630) / J. Chem. Phys. by AD Fortes (2003)
  20. Pickard, C. J. & Needs, R. J. High pressure phases of silane. Phys. Rev. Lett. 97, 045504 (2006). (10.1103/PhysRevLett.97.045504) / Phys. Rev. Lett. by CJ Pickard (2006)
  21. Pickard, C. J. & Needs, R. J. Structure of phase III of hydrogen. Nature Phys. 3, 473–476 (2007). (10.1038/nphys625) / Nature Phys. by CJ Pickard (2007)
  22. Pickard, C. J. & Needs, R. J. Metallization of aluminum hydride at high pressures: A first-principles study. Phys. Rev. B 76, 144114 (2007). (10.1103/PhysRevB.76.144114) / Phys. Rev. B by CJ Pickard (2007)
  23. Pickard, C. J. & Needs, R. J. When is H2O not water? J. Chem. Phys. 127, 244503 (2007). (10.1063/1.2812268) / J. Chem. Phys. by CJ Pickard (2007)
  24. Eremets, M. I., Trojan, I. A., Medvedev, S. A., Tse, J. S. & Yao, Y. Superconductivity in hydrogen dominant materials: silane. Science 319, 1506–1509 (2008). (10.1126/science.1153282) / Science by MI Eremets (2008)
  25. Goncharenko, I. et al. Pressure-induced hydrogen-dominant metallic state in aluminum hydride. Phys. Rev. Lett. 100, 045504 (2008). (10.1103/PhysRevLett.100.045504) / Phys. Rev. Lett. by I Goncharenko (2008)
  26. Segall, M. D., Shah, R., Pickard, C. J. & Payne, M. C. Population analysis of plane-wave electronic structure calculations of bulk materials. Phys. Rev. B 54, 16317–16320 (1996). (10.1103/PhysRevB.54.16317) / Phys. Rev. B by MD Segall (1996)
  27. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). (10.1103/PhysRevLett.77.3865) / Phys. Rev. Lett. by JP Perdew (1996)
  28. Liebman, J. F. Existence and estimated enthalpies of formation of ammonium hydroxide, hydronium amide, and some related species. Struct. Chem. 8, 313–315 (1997). (10.1007/BF02252975) / Struct. Chem. by JF Liebman (1997)
  29. Somayazulu, M. et al. Novel broken symmetry phase from N2O at high pressures and high temperatures. Phys. Rev. Lett. 87, 135504 (2001). (10.1103/PhysRevLett.87.135504) / Phys. Rev. Lett. by M Somayazulu (2001)
  30. Meng, Y. et al. Hard x-ray radiation induced dissociation of N2 and O2 molecules and the formation of ionic nitrogen oxide phases under pressure. Phys. Rev. B 74, 214107 (2006). (10.1103/PhysRevB.74.214107) / Phys. Rev. B by Y Meng (2006)
  31. Fortes, A. D., Brodholt, J. P., Wood, I. G., Voc˘adlo, L. & Jenkins, H. D. B. Ab initio simulation of ammonia monohydrate (NH3·H2O) and ammonium hydroxide (NH4OH). J. Chem. Phys. 115, 7006–7014 (2001). (10.1063/1.1398104) / J. Chem. Phys. by AD Fortes (2001)
  32. Clark, S. J. et al. First principles methods using CASTEP. Z. Kristallogr. 220, 567–570 (2005). (10.1524/zkri.220.5.567.65075) / Z. Kristallogr. by SJ Clark (2005)
  33. Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41, 7892–7895 (1990). (10.1103/PhysRevB.41.7892) / Phys. Rev. B by D Vanderbilt (1990)
Dates
Type When
Created 17 years ago (Aug. 25, 2008, 6 a.m.)
Deposited 3 years, 1 month ago (July 6, 2022, 3:58 p.m.)
Indexed 6 days, 1 hour ago (Aug. 23, 2025, 9:31 p.m.)
Issued 17 years ago (Aug. 24, 2008)
Published 17 years ago (Aug. 24, 2008)
Published Online 17 years ago (Aug. 24, 2008)
Published Print 16 years, 10 months ago (Oct. 1, 2008)
Funders 0

None

@article{Pickard_2008, title={Highly compressed ammonia forms an ionic crystal}, volume={7}, ISSN={1476-4660}, url={http://dx.doi.org/10.1038/nmat2261}, DOI={10.1038/nmat2261}, number={10}, journal={Nature Materials}, publisher={Springer Science and Business Media LLC}, author={Pickard, Chris J. and Needs, R. J.}, year={2008}, month=aug, pages={775–779} }