Light atom quantum oscillations in UC and US

Yiu, Yuen; Aczel, Adam A.; Granroth, Garrett E.; Abernathy, Douglas L.; Stone, Matthew B.; Buyers, W. J. L.; Lin, J. Y. Y.; Samolyuk, German D.; Stocks, George Malcolm; Nagler, Stephen E.

doi:10.1103/PhysRevB.93.014306

Title: Light atom quantum oscillations in UC and US

Journal Article · 19 January 2016 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.93.014306 · OSTI ID:1235830

Yiu, Yuen ^[1]; Aczel, Adam A. ^[2]; Granroth, Garrett E. ^[2]; Abernathy, Douglas L. ^[2]; Stone, Matthew B. ^[2]; Buyers, W. J. L. ^[3]; Lin, J. Y. Y. ^[4]; Samolyuk, German D. ^[2]; Stocks, George Malcolm ^[2]; Nagler, Stephen E. ^[2]

Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Canadian Nuclear Lab., Chalk River, ON (Canada)
California Institute of Technology (Caltech), Pasadena, CA (United States)

High energy vibrational scattering in the binary systems UC and US is measured using time-of-flight inelastic neutron scattering. A clear set of well-defined peaks equally separated in energy is observed in UC, corresponding to harmonic oscillations of the light C atoms in a cage of heavy U atoms. The scattering is much weaker in US and only a few oscillator peaks are visible. We show how the difference between the materials can be understood by considering the neutron scattering lengths and masses of the lighter atoms. Monte Carlo ray tracing is used to simulate the scattering, with near quantitative agreement with the data in UC, and some differences with US. The possibility of observing anharmonicity and anisotropy in the potentials of the light atoms is investigated in UC. Lastly, the observed data is well accounted for by considering each light atom as a single atom isotropic quantum harmonic oscillator.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; FG02-08ER46528

OSTI ID:: 1235830

Alternate ID(s):: OSTI ID: 1235638

Journal Information:: Physical Review B, Vol. 93, Issue 1; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 3 works

Citation information provided by
Web of Science

References (43)

Antiferromagnetic structures of USb and UBi Kuznietz, M.; Lander, G. H.; Campos, F. P. Journal of Physics and Chemistry of Solids, Vol. 30, Issue 6 https://doi.org/10.1016/0022-3697(69)90229-7	journal	June 1969
Magnetic moment distribution in uranium monosulphide Wedgwood, F. A. Journal of Physics C: Solid State Physics, Vol. 5, Issue 17 https://doi.org/10.1088/0022-3719/5/17/018	journal	September 1972
Actinide chalcogenides and pnictides. III. Optical-phonon frequency determination in UX and ThX compounds by neutron scattering Wedgwood, F. A. Journal of Physics C: Solid State Physics, Vol. 7, Issue 18 https://doi.org/10.1088/0022-3719/7/18/006	journal	September 1974
Spin and phonon excitations in actinide systems Buyers, W. J. L.; Murray, A. F.; Holden, T. M. Physica B+C, Vol. 102, Issue 1-3 https://doi.org/10.1016/0378-4363(80)90176-X	journal	October 1980
Spin and phonon response in uranium compounds Buyers, W. J. L.; Murray, A. F.; Jackman, J. A. Journal of Applied Physics, Vol. 52, Issue 3 https://doi.org/10.1063/1.328885	journal	March 1981
Spin correlations in uranium nitride near the ordering temperature Holden, T. M.; Buyers, W. J. L.; Svensson, E. C. Physical Review B, Vol. 26, Issue 11 https://doi.org/10.1103/PhysRevB.26.6227	journal	December 1982
Magnetic excitations and lattice vibrations in uranium rock‐salt structure compounds Holden, T. M.; Buyers, W. J. L.; Svensson, E. C. Journal of Applied Physics, Vol. 53, Issue 3 https://doi.org/10.1063/1.330724	journal	March 1982
Magnetic excitations in uranium nitride Holden, T. M.; Buyers, W. J. L.; Svensson, E. C. Physical Review B, Vol. 30, Issue 1 https://doi.org/10.1103/PhysRevB.30.114	journal	July 1984
Exploration of magnetic excitation behaviour of actinide compounds with neutron scattering Buyers, W. J. L.; Holden, T. M.; Jackman, J. A. Journal of Magnetism and Magnetic Materials, Vol. 31-34 https://doi.org/10.1016/0304-8853(83)90228-7	journal	February 1983
Systematic study of the lattice dynamics of the uranium rocksalt-structure compounds Jackman, J. A.; Holden, T. M.; Buyers, W. J. L. Physical Review B, Vol. 33, Issue 10 https://doi.org/10.1103/PhysRevB.33.7144	journal	May 1986
The magnetism of the uranium chalcogenides Holden, T. M.; Jackman, J. A.; Buyers, W. J. L. Journal of Magnetism and Magnetic Materials, Vol. 63-64 https://doi.org/10.1016/0304-8853(87)90550-6	journal	January 1987
Spin‐wave polarization in single domain uranium selenide Hughes, K. M.; Holden, T. M.; Buyers, W. J. L. Journal of Applied Physics, Vol. 61, Issue 8 https://doi.org/10.1063/1.338763	journal	April 1987
An investigation of the magnetic structure of uranium nitride by neutron diffraction Curry, N. A. Proceedings of the Physical Society, Vol. 86, Issue 6 https://doi.org/10.1088/0370-1328/86/6/304	journal	December 1965
Uranium Monosulfide. The Ferromagnetic Transition. The Heat Capacity and Thermodynamic Properties from 1.5° to 350°K Westrum, Edgar F.; Walters, Robert R.; Flotow, Howard E. The Journal of Chemical Physics, Vol. 48, Issue 1 https://doi.org/10.1063/1.1667893	journal	January 1968
A US perspective on fast reactor fuel fabrication technology and experience. Part II: Ceramic fuels Burkes, Douglas E.; Fielding, Randall S.; Porter, Douglas L. Journal of Nuclear Materials, Vol. 393, Issue 1 https://doi.org/10.1016/j.jnucmat.2009.04.023	journal	August 2009
Electronic correlation and transport properties of nuclear fuel materials Yin, Quan; Kutepov, Andrey; Haule, Kristjan Physical Review B, Vol. 84, Issue 19 https://doi.org/10.1103/PhysRevB.84.195111	journal	November 2011
First-principles study of structural, elastic, electronic, vibrational and thermodynamic properties of UN Mei, Zhi-Gang; Stan, Marius; Pichler, Benjamin Journal of Nuclear Materials, Vol. 440, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.04.058	journal	September 2013
Quantum oscillations of nitrogen atoms in uranium nitride Aczel, A. A.; Granroth, G. E.; MacDougall, G. J. Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms2117	journal	January 2012
SEQUOIA: A fine resolution chopper spectrometer at the SNS Granroth, G. E.; Vandergriff, D. H.; Nagler, S. E. Physica B: Condensed Matter, Vol. 385-386 https://doi.org/10.1016/j.physb.2006.05.379	journal	November 2006
SEQUOIA: A Newly Operating Chopper Spectrometer at the SNS Granroth, G. E.; Kolesnikov, A. I.; Sherline, T. E. Journal of Physics: Conference Series, Vol. 251 https://doi.org/10.1088/1742-6596/251/1/012058	journal	November 2010
Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source Abernathy, D. L.; Stone, M. B.; Loguillo, M. J. Review of Scientific Instruments, Vol. 83, Issue 1 https://doi.org/10.1063/1.3680104	journal	January 2012
The theory of neutron scattering from mixed harmonic solids Warner, M.; Lovesey, S. W.; Smith, J. Zeitschrift f�r Physik B Condensed Matter, Vol. 51, Issue 2 https://doi.org/10.1007/BF01308765	journal	June 1983
Introduction to Lattice Dynamics Dove, Martin T. Cambridge Topics in Mineral Physics and Chemistry https://doi.org/10.1017/CBO9780511619885	book	February 2010
Local Modes and Hydrogen Potentials in Metal Hydrides Ikeda, Susumu; Watanabe, Noboru Journal of the Physical Society of Japan, Vol. 56, Issue 2 https://doi.org/10.1143/JPSJ.56.565	journal	February 1987
Strong anharmonic H(D) vibrations in the δ-phase of titanium hydride: observation of bound multiphonon states Kolesnikov, A. I.; Bashkin, I. O.; Malyshev, V. Yu. Physica B: Condensed Matter, Vol. 180-181 https://doi.org/10.1016/0921-4526(92)90735-B	journal	June 1992
Inelastic neutron scattering study of ordered gamma -ZrH Kolesnikov, A. I.; Bashkin, I. O.; Belushkin, A. V. Journal of Physics: Condensed Matter, Vol. 6, Issue 43 https://doi.org/10.1088/0953-8984/6/43/005	journal	October 1994
Vibrational states for hydrogen in palladium Elsässer, C.; Ho, K. M.; Chan, C. T. Physical Review B, Vol. 44, Issue 18 https://doi.org/10.1103/PhysRevB.44.10377	journal	November 1991
Where do the H atoms reside in PdH _x systems? Caputo, Riccarda; Alavi, Ali Molecular Physics, Vol. 101, Issue 11 https://doi.org/10.1080/0026897031000094489	journal	June 2003
Phonon measurements in uranium monosulphide DuPlessis, P. de V.; Holden, T. M.; Buyers, W. J. L. Journal of Physics C: Solid State Physics, Vol. 18, Issue 14 https://doi.org/10.1088/0022-3719/18/14/012	journal	May 1985
The phonon dispersion relation for magnesium oxide Peckham, G. Proceedings of the Physical Society, Vol. 90, Issue 3 https://doi.org/10.1088/0370-1328/90/3/312	journal	March 1967
Neutron scattering lengths and cross sections Sears, Varley F. Neutron News, Vol. 3, Issue 3 https://doi.org/10.1080/10448639208218770	journal	January 1992
Spin dynamics in the quantum antiferromagnetic chain compound KCuF 3 Nagler, S. E.; Tennant, D. A.; Cowley, R. A. Physical Review B, Vol. 44, Issue 22 https://doi.org/10.1103/PhysRevB.44.12361	journal	December 1991
MCViNE – An object oriented Monte Carlo neutron ray tracing simulation package Lin, Jiao Y. Y.; Smith, Hillary L.; Granroth, Garrett E. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 810 https://doi.org/10.1016/j.nima.2015.11.118	journal	February 2016
Advanced sources and optical components for the McStas neutron scattering instrument simulation package Farhi, E.; Monzat, C.; Arnerin, R. Journal of Neutron Research, Vol. 17, Issue 1 https://doi.org/10.3233/JNR-130007	journal	January 2014
McStas, a general software package for neutron ray-tracing simulations Lefmann, Kim; Nielsen, Kristian Neutron News, Vol. 10, Issue 3 https://doi.org/10.1080/10448639908233684	journal	January 1999
McStas 1.7 - a new version of the flexible Monte Carlo neutron scattering package Willendrup, Peter; Farhi, Emmanuel; Lefmann, Kim Physica B: Condensed Matter, Vol. 350, Issue 1-3 https://doi.org/10.1016/j.physb.2004.03.193	journal	July 2004
Fast Monte Carlo simulation of a dispersive sample on the SEQUOIA spectrometer at the SNS Granroth, Garrett; Chen, Meili; Kohl, James Journal of Neutron Research, Vol. 15, Issue 1 https://doi.org/10.1080/10238160601046092	journal	January 2007
Localized vibrations ofH andD in Ta and their relation to theH(D) potential Hempelmann, R.; Richter, D.; Kollmar, A. Zeitschrift f�r Physik B Condensed Matter, Vol. 44, Issue 3 https://doi.org/10.1007/BF01297171	journal	September 1981
Structure in the Neutron Scattering Spectra of Zirconium Hydride Couch, J. G.; Harling, O. K.; Clune, Lavern C. Physical Review B, Vol. 4, Issue 8 https://doi.org/10.1103/PhysRevB.4.2675	journal	October 1971
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Vanderbilt, David Physical Review B, Vol. 41, Issue 11, p. 7892-7895 https://doi.org/10.1103/PhysRevB.41.7892	journal	April 1990
Optimized pseudopotentials Rappe, Andrew M.; Rabe, Karin M.; Kaxiras, Efthimios Physical Review B, Vol. 41, Issue 2 https://doi.org/10.1103/PhysRevB.41.1227	journal	January 1990
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996

Cited By (1)

Recent developments of MCViNE and its applications at SNS Lin, Jiao Y. Y.; Islam, Fahima; Sala, Gabriele Journal of Physics Communications, Vol. 3, Issue 8 https://doi.org/10.1088/2399-6528/ab3622	journal	August 2019

Similar Records

Quantum oscillations of nitrogen atoms in uranium nitride

Journal Article · 2012 · Nature Communications · OSTI ID:1055049

Aczel, Adam A; Granroth, Garrett E; MacDougall, Gregory J; +5 more

Using Monte Carlo ray tracing simulations to model the quantum harmonic oscillator modes observed in uranium nitride

Journal Article · 2014 · Physical Review B · OSTI ID:1126984

Lin, J. Y. Y.; Aczel, Adam A; Abernathy, Douglas L; +3 more

Inelastic neutron scattering studies of TbNiAlH_1.4and UNiAlH_2.0hydrides

Journal Article · 2003 · Journal of Physics. Condensed Matter · OSTI ID:15004071

Bordallo, H. N.; Kolesnikov, A. I.; Kolomiets, A. V.; +3 more

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS

Title: Light atom quantum oscillations in UC and US

Citation Formats

References (43)

Cited By (1)

Similar Records

Related Subjects