Quantum oscillations of nitrogen atoms in uranium nitride

Nature Communications

Volumn 3, Issue , 2012, Pages

  Aczel, A A ^a   Granroth, G E ^a   MacDougall, G J ^a   Buyers, W J L ^b   Abernathy, D L ^a   Samolyuk, G D ^a   Stocks, G M ^a   Nagler, S E ^a,c  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^c UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

NITROGEN; UNCLASSIFIED DRUG; URANIUM DERIVATIVE; URANIUM NITRIDE;

CRYSTALLINITY; MEASUREMENT METHOD; NITROGEN; QUANTUM MECHANICS; SPECTROSCOPY; URANIUM; VIBRATION;

ARTICLE; NEUTRON SCATTERING; NUCLEAR REACTOR; OSCILLATION; OSCILLATOR; PHONON; QUANTUM MECHANICS; VIBRATION;

NITROGEN; URANIUM COMPOUNDS; VIBRATION;

EID: 84869406251     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms2117     Document Type: Article

References (40)

1. Ashcrof, N. & Mermin, D. Solid State Physics 451-486 (Holt, Rinehart and Winston, 1976).
2. Jackman, J. A. et al. Systematic study of the lattice dynamics of uranium rocksalt-structure compounds. Phys. Rev. B 33, 7144-7153 (1986).
3. Holden, T. M., Buyers, W. J. L., Svensson, E. C. & Lander, G. H. Magnetic excitations in uranium nitride. Phys. Rev. B 30, 114-121 (1984).
4. Solontsov, A. & Silin, V. P. Uranium nitride: a spin polarized weak itinerant electron antiferromagnet with strongly correlated electrons. Phys. Lett. A 334, 453-459 (2005). (Pubitemid 40092344)
5. Samsel-Czekala, M. et al. Electronic structure and magnetic and transport properties of single-crystalline UN. Phys. Rev. B 76, 144426 (2007).
6. Shankar, R. Principles of Quantum Mechanics 195-231 (Plenum, New York, 1988).
7. Freeman, A. J. & Lander, G. H. (eds) Handbook on the Physics and Chemistry of the Actinides, Parts I and II (North-Holland, 1984).
8. Lu, Y., Wang, B.-T., Li, R.-W., Shi, H. & Zhang, P. Structural, electronic and thermodynamics properties of UN: Systematic density functional calculations. J. Nucl. Mater. 406, 218-222 (2010).
9. Modak, P. & Verma, A. K. First principles investigation of electronic, vibrational, elasic, and structural properties of TN and UN up to 100 GPa. Phys. Rev. B 84, 024108 (2011).
10. Yin, Q. et al. Electronic correlation and transport properties of nuclear fuel materials. Phys. Rev. B 84, 195111 (2011).
11. Gryaznov, D., Heifets, E. & Kotomin, E. The frst-principles treatment of the electron-correlation and spin-orbital efects in uranium mononitride nuclear fuels. Phys. Chem. Chem. Phys. 14, 4482 (2012).
12. Dubovsky, O. A., Orlov, A. V. & Semenov, V. A. Soliton microdynamics and thermal conductivity of uranium nitride at high temperatures. Phys. Solid State 53, 1963-1974 (2011).
13. Burkes, D. E., Fielding, R. S., Porter, D. L., Meyer, M. K. & Makenas, B. J. A US perspective on fast reactor fuel fabrication technology and experience Part II: ceramic fuels. J. Nucl. Mater. 393, 1-11 (2009).
14. Schriener, T. M. & El-Genk, M. S. Neutronics and thermal-hydraulics analysis of a liquid metal fast reactor for expandable lunar surface power. Ann. Nucl. Energy 41, 48-60 (2012).
15. Petti, D., Crawford, D. & Chauvin, N. Fuels for advanced nuclear energy systems. MRS Bull. 34, 40-45 (2009).
16. Wedgwood, F. A. Actinide chalcogenides and pnictides III: Optic phonon frequency determination in UX and TX compounds by neutron scattering. J. Phys. C: Solid State Phys. 7, 3203-3218 (1974).
17. Granroth, G. E., Vandergrif, D. H. & Nagler, S. E. SEQUOIA: A fne resolution chopper spectrometer at the SNS. Physica B 385-386, 1104-1106 (2006). (Pubitemid 44792974)
18. Granroth, G. E. et al. SEQUOIA: A newly operating chopper spectrometer at the SNS. J. Phys.: Conf Ser. 251, 012058 (2010).
19. Abernathy, D. L. et al. Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source. Rev. Sci. Instr. 83, 015114 (2012).
20. Dolling, G., Holden, T. M., Svensson, E. C., Buyers, W. J. L. & Lander, G. H. in Phonons: Proceedings of the International Conference on Lattice Dynamics Paris, 5-7 Sept. 1977, (ed Balkanski M) 81-89 (Flammarion, Paris, 1978).
21. Jha, P. K. & Sanyal, S. P. Lattice dynamics of uranium chalcogenides and pnictides. Phys. Rev. B 46, 3664-3667 (1992).
22. Jha, P. K. & Sanyal, S. P. Lattice vibrational properteis of uranium pnictides. Pramana J. Phys. 42, 9-14 (1994).
23. Lovesey, S. W. Teory of Neutron Scattering from Condensed Matter, Volume 1 86-93 (Oxford University Press, 1986).
24. Izyumov Yu, A. & Chernoplekov, N. A. Neutron Spectroscopy 322-358 (Plenum, 1994).
25. Warner, M., Lovesey, S. W. & Smith, J. The theory of neutron scattering from mixed harmonic solids. Z. Phys. B 51, 109-126 (1983).
26. Andresen, A. F., McReynolds, A. W., Nelkin, M., Rosenbluth, M. & Whittemore, W. Neutron investigation of optical vibration levels in zirconium hydride. Phys. Rev. 108, 1092-1093 (1957).
27. Whittemore, W. L. & McReynolds, A. W. Efects of chemical binding on the neutron cross section of hydrogen. Phys. Rev. 113, 806-808 (1959).
28. Kolesnikov, A. I. et al. Transfer of hydrogen to octahedral lattice positions in the superconducting titanium hydride phase. JETP Lett. 44, 509-511 (1986).
29. Kolesnikov, A. I. et al. Strong anharmonic H(D) vibrations in the δ-phase of titanium hydride: observation of bound multiphonon states. Physica B 180-181, 284-286 (1992).
30. Kolesnikov, A. I., Bashkin, I. O., Belushkin, A. V., Ponyatovsky, E. G. & Prager, M. Inelastic neutron scattering study of ordered γ-ZrH. J. Phys. Cond. Matt. 6, 8989-9000 (1994).
31. Ikeda, S. & Watanabe, N. Local modes and hydrogen potentials in metal hydrides, J. Phys. Soc. Jpn. 56, 565-576 (1987).
32. Couch, J. G., Harling, O. K. & Clune, L. C. Structure in the neutron scattering spectra of zirconium hydride. Phys. Rev. B 4, 2675-2681 (1971).
33. 2 (M=Ti, Zr) and localization in cubic Laves phases ZrM2H1/2 (M=V, Cr, Fe, Co). Mat. Res. Soc. Symp. Proc. 453, 221-226 (1997).
34. Butler, D. Nuclear power's new dawn. Nature 429, 238-240 (2004).
35. Fermi, E. On the motion of neutrons in hydrogenous substances. Ric. Scient. 7, 13-49 (1936).
36. Stone, M. B., Loguillo, M. J. & Abernathy, D. L. Ultrathin aluminum sample cans for single crystal inelastic neutron scattering. Rev. Sci. Instrum. 82, 055117 (2011).
37. Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source sofware project for quantum simulations of materials. J. Phys. Cond. Matt. 21, 395502 (2009).
38. Vanderbilt, D. Sof self-consistent pseudopotentials in a generalized eigenvalue problem. Phys. Rev. B 41, 7892-7895 (1990).
39. Rappe, A. M., Rabe, K. M., Kaxiras, E. & Joannopoulos, J. D. Optimized pseduopotentials. Phys. Rev. B 41, 1227-1230 (1990).
40. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996). (Pubitemid 126631804)