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Title: Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe 11.4 Si 1.6 H 1.6

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Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1600071
Grant/Contract Number:  
[AC02-06CH11357]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
[Journal Name: Physical Review B Journal Volume: 101 Journal Issue: 6]; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Terwey, A., Gruner, M. E., Keune, W., Landers, J., Salamon, S., Eggert, B., Ollefs, K., Brabänder, V., Radulov, I., Skokov, K., Faske, T., Hu, M. Y., Zhao, J., Alp, E. E., Giacobbe, C., Gutfleisch, O., and Wende, H. Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe 11.4 Si 1.6 H 1.6. United States: N. p., 2020. Web. doi:10.1103/PhysRevB.101.064415.
Terwey, A., Gruner, M. E., Keune, W., Landers, J., Salamon, S., Eggert, B., Ollefs, K., Brabänder, V., Radulov, I., Skokov, K., Faske, T., Hu, M. Y., Zhao, J., Alp, E. E., Giacobbe, C., Gutfleisch, O., & Wende, H. Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe 11.4 Si 1.6 H 1.6. United States. doi:10.1103/PhysRevB.101.064415.
Terwey, A., Gruner, M. E., Keune, W., Landers, J., Salamon, S., Eggert, B., Ollefs, K., Brabänder, V., Radulov, I., Skokov, K., Faske, T., Hu, M. Y., Zhao, J., Alp, E. E., Giacobbe, C., Gutfleisch, O., and Wende, H. Tue . "Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe 11.4 Si 1.6 H 1.6". United States. doi:10.1103/PhysRevB.101.064415.
@article{osti_1600071,
title = {Influence of hydrogenation on the vibrational density of states of magnetocaloric LaFe 11.4 Si 1.6 H 1.6},
author = {Terwey, A. and Gruner, M. E. and Keune, W. and Landers, J. and Salamon, S. and Eggert, B. and Ollefs, K. and Brabänder, V. and Radulov, I. and Skokov, K. and Faske, T. and Hu, M. Y. and Zhao, J. and Alp, E. E. and Giacobbe, C. and Gutfleisch, O. and Wende, H.},
abstractNote = {},
doi = {10.1103/PhysRevB.101.064415},
journal = {Physical Review B},
number = [6],
volume = [101],
place = {United States},
year = {2020},
month = {2}
}

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Works referenced in this record:

Novel Design of La(Fe,Si)13 Alloys Towards High Magnetic Refrigeration Performance
journal, August 2010

  • Lyubina, Julia; Schäfer, Rudolf; Martin, Norbert
  • Advanced Materials, Vol. 22, Issue 33
  • DOI: 10.1002/adma.201000177

Reversible solid-state hydrogen-pump driven by magnetostructural transformation in the prototype system La(Fe,Si) 13 H y
journal, October 2012

  • Krautz, Maria; Moore, James D.; Skokov, Konstantin P.
  • Journal of Applied Physics, Vol. 112, Issue 8
  • DOI: 10.1063/1.4759438

Zn and P Alloying Effect in Sub-Rapidly Solidified LaFe11.6Si1.4 Magnetocaloric Plates
journal, April 2019


Multiple Metamagnetic Transitions in the Magnetic Refrigerant La ( Fe , Si ) 13 H x
journal, October 2008


Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder
journal, March 2011

  • Delaire, O.; Marty, K.; Stone, M. B.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 12
  • DOI: 10.1073/pnas.1014869108

Efficient Room-Temperature Cooling with Magnets
journal, June 2016


The dynamics of spontaneous hydrogen segregation in LaFe 13− x Si x H y
journal, May 2014

  • Baumfeld, Oliver L.; Gercsi, Zsolt; Krautz, Maria
  • Journal of Applied Physics, Vol. 115, Issue 20
  • DOI: 10.1063/1.4879099

Ferromagnetic phases of bcc and fcc Fe, Co, and Ni
journal, August 1986


Large magnetocaloric effect in La(FexSi1−x)13 itinerant-electron metamagnetic compounds
journal, August 2002

  • Fujieda, S.; Fujita, A.; Fukamichi, K.
  • Applied Physics Letters, Vol. 81, Issue 7
  • DOI: 10.1063/1.1498148

Stability and Magnetocaloric Properties of Sintered La(Fe, Mn, Si)$_{13}$H$_{z}$ Alloys
journal, October 2011


Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
journal, August 1980

  • Vosko, S. H.; Wilk, L.; Nusair, M.
  • Canadian Journal of Physics, Vol. 58, Issue 8
  • DOI: 10.1139/p80-159

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Energy Dependence of Nuclear Recoil Measured with Incoherent Nuclear Scattering of Synchrotron Radiation
journal, June 1995


A quantitative criterion for determining the order of magnetic phase transitions using the magnetocaloric effect
journal, July 2018

  • Law, Jia Yan; Franco, Victorino; Moreno-Ramírez, Luis Miguel
  • Nature Communications, Vol. 9, Issue 1
  • DOI: 10.1038/s41467-018-05111-w

Phonon Density of States Measured by Inelastic Nuclear Resonant Scattering
journal, May 1995


Ground States of Constrained Systems: Application to Cerium Impurities
journal, December 1984


PHON: A program to calculate phonons using the small displacement method
journal, December 2009


Vibrational thermodynamics of materials
journal, May 2010


Elasticity and magnetocaloric effect in MnFe 4 Si 3
journal, March 2016


X-ray diffractometer for the investigation of temperature- and magnetic field-induced structural phase transitions
journal, May 2018


Mixed Magnetism for Refrigeration and Energy Conversion
journal, September 2011

  • Dung, Nguyen H.; Ou, Zhi Qiang; Caron, Luana
  • Advanced Energy Materials, Vol. 1, Issue 6
  • DOI: 10.1002/aenm.201100252

A review and new perspectives for the magnetocaloric effect: New materials and local heating and cooling inside the human body
journal, August 2016


Neutron Diffraction and Isotropic Volume Expansion Caused by Deuterium Absorption into La(Fe 0.88 Si 0.12 ) 13
journal, July 2008

  • Fujieda, Shun; Fujita, Asaya; Fukamichi, Kazuaki
  • Journal of the Physical Society of Japan, Vol. 77, Issue 7
  • DOI: 10.1143/JPSJ.77.074722

Effects of composition, temperature, and magnetism on phonons in bcc Fe-V alloys
journal, October 2010


Entropy changes associated with the first-order magnetic transition in LaFe13−xSix
journal, December 2006

  • Jia, L.; Liu, G. J.; Sun, J. R.
  • Journal of Applied Physics, Vol. 100, Issue 12
  • DOI: 10.1063/1.2404468

Strong interplay between structure and magnetism in the giant magnetocaloric intermetallic compound LaFe 11.4 Si 1.6 : a neutron diffraction study
journal, July 2003

  • Wang, Fangwei; Wang, Guang-jun; Hu, Feng-xia
  • Journal of Physics: Condensed Matter, Vol. 15, Issue 30
  • DOI: 10.1088/0953-8984/15/30/309

Caloric Effects in Ferroic Materials: New Concepts for Cooling
journal, November 2011

  • Fähler, Sebastian; Rößler, Ulrich K.; Kastner, Oliver
  • Advanced Engineering Materials, Vol. 14, Issue 1-2
  • DOI: 10.1002/adem.201100178

Magnetocaloric materials for refrigeration near room temperature
journal, April 2018

  • Waske, Anja; Gruner, Markus E.; Gottschall, Tino
  • MRS Bulletin, Vol. 43, Issue 4
  • DOI: 10.1557/mrs.2018.69

Electronic structure, metamagnetism and thermopower of LaSiFe 12 and interstitially doped LaSiFe 12
journal, December 2017

  • Gercsi, Z.; Fuller, N.; Sandeman, K. G.
  • Journal of Physics D: Applied Physics, Vol. 51, Issue 3
  • DOI: 10.1088/1361-6463/aa9ed0

Role of vibrational entropy in the stabilization of the high-temperature phases of iron
journal, May 2014


Hydrogen and deuterium in transition metal-p element compounds: Crystal chemical aspects of interstitial solid solubility and hydride phase formation
journal, August 1984


Structural effects in the interstitial solid solution system (La,Ce)(Fe,Si) 13 C x -H: Correlation with hydrogenation kinetics
journal, February 2018

  • Hai, X.; Porcher, F.; Mayer, C.
  • Journal of Applied Physics, Vol. 123, Issue 8
  • DOI: 10.1063/1.5013120

Hysteresis and Phase Transition Kinetics in Magnetocaloric Materials
journal, October 2017

  • Basso, Vittorio; Piazzi, Marco; Bennati, Cecilia
  • physica status solidi (b), Vol. 255, Issue 2
  • DOI: 10.1002/pssb.201700278

Mössbauer spectroscopic evaluation of chemical and electronic distributions in La(Fe0.81Si0.19)13
journal, March 2004

  • Hamdeh, H. H.; Al-Ghanem, H.; Hikal, W. M.
  • Journal of Magnetism and Magnetic Materials, Vol. 269, Issue 3
  • DOI: 10.1016/j.jmmm.2003.07.004

Low-temperature specific heat in hydrogenated and Mn-doped La ( Fe , Si ) 13
journal, October 2016


Recent developments in magnetocaloric materials
journal, May 2005

  • Gschneidner, K. A.; Pecharsky, V. K.; Tsokol, A. O.
  • Reports on Progress in Physics, Vol. 68, Issue 6, p. 1479-1539
  • DOI: 10.1088/0034-4885/68/6/R04

Itinerant electron metamagnetic transition in La(FexSi1−x)13 intermetallic compounds
journal, April 1999

  • Fujita, A.; Akamatsu, Y.; Fukamichi, K.
  • Journal of Applied Physics, Vol. 85, Issue 8
  • DOI: 10.1063/1.370471

First-Principles Determination of the Soft Mode in Cubic ZrO 2
journal, May 1997


First-principles study of magnetism, lattice dynamics, and superconductivity in LaFeSiH x
journal, June 2018


Generalized gradient approximation for the exchange-correlation hole of a many-electron system
journal, December 1996


Caloric materials near ferroic phase transitions
journal, April 2014

  • Moya, X.; Kar-Narayan, S.; Mathur, N. D.
  • Nature Materials, Vol. 13, Issue 5
  • DOI: 10.1038/nmat3951

Magnetocaloric materials: The search for new systems
journal, September 2012


Observation of Nuclear Resonant Scattering Accompanied by Phonon Excitation Using Synchrotron Radiation
journal, May 1995


Vibrational dynamics of myoglobin determined by the phonon-assisted Mössbauer effect
journal, May 2002


Experimental results on the pressure dependence of the Grüneisen parameter: A review
journal, January 1980


Ultrasonic triggering of giant magnetocaloric effect in MnAs thin films
journal, July 2012


Giant isotropic magnetostriction of itinerant-electron metamagnetic La(Fe0.88Si0.12)13Hy compounds
journal, July 2001

  • Fujieda, S.; Fujita, A.; Fukamichi, K.
  • Applied Physics Letters, Vol. 79, Issue 5
  • DOI: 10.1063/1.1388157

Local electronic and magnetic properties of pure and Mn-containing magnetocaloric LaFe 13− x Si x compounds inferred from Mössbauer spectroscopy and magnetometry
journal, July 2015


A calculation of elastic constants of ferromagnetic iron at finite temperatures
journal, January 1985

  • Hasegawa, H.; Finnis, M. W.; Pettifor, D. G.
  • Journal of Physics F: Metal Physics, Vol. 15, Issue 1
  • DOI: 10.1088/0305-4608/15/1/007

The hydrogenation behavior of LaFe11.44Si1.56 magnetic refrigerating alloy
journal, October 2009


Thermopower of LaFe 13−x Si x alloys
journal, December 2012


Influence of negative lattice expansion and metamagnetic transition on magnetic entropy change in the compound LaFe11.4Si1.6
journal, June 2001

  • Hu, Feng-xia; Shen, Bao-gen; Sun, Ji-rong
  • Applied Physics Letters, Vol. 78, Issue 23
  • DOI: 10.1063/1.1375836

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Moment-Volume Coupling in La(Fe 1 −x Si x ) 13
journal, December 2017

  • Gruner, Markus E.; Keune, Werner; Landers, Joachim
  • physica status solidi (b), Vol. 255, Issue 2
  • DOI: 10.1002/pssb.201700465

Neutron diffraction study of LaFe11.31Si1.69 and LaFe11.31Si1.69H1.45 compounds
journal, February 2010


Giant Magnetocaloric Effect in Gd5(Si2Ge2)
journal, June 1997


Electronic, quasiharmonic, and anharmonic entropies of transition metals
journal, September 1992


Measuring velocity of sound with nuclear resonant inelastic x-ray scattering
journal, March 2003


Mechanism of the strong magnetic refrigerant performance of LaFe 13 x Si x
journal, September 2007


Modeling specific heat and entropy change in La(Fe–Mn–Si)13–H compounds
journal, February 2016

  • Piazzi, Marco; Bennati, Cecilia; Curcio, Carmen
  • Journal of Magnetism and Magnetic Materials, Vol. 400
  • DOI: 10.1016/j.jmmm.2015.07.055

Systematic study of the microstructure, entropy change and adiabatic temperature change in optimized La–Fe–Si alloys
journal, May 2011


Mastering hysteresis in magnetocaloric materials
journal, August 2016

  • Gutfleisch, O.; Gottschall, T.; Fries, M.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 374, Issue 2074
  • DOI: 10.1098/rsta.2015.0308

Anharmonic lattice vibrations in simple metals
journal, June 1983


Hysteresis Design of Magnetocaloric Materials-From Basic Mechanisms to Applications
journal, August 2018

  • Scheibel, Franziska; Gottschall, Tino; Taubel, Andreas
  • Energy Technology, Vol. 6, Issue 8
  • DOI: 10.1002/ente.201800264

Systematic investigation of Mn substituted La(Fe,Si)13 alloys and their hydrides for room-temperature magnetocaloric application
journal, June 2014


Magnetic Materials and Devices for the 21st Century: Stronger, Lighter, and More Energy Efficient
journal, December 2010

  • Gutfleisch, Oliver; Willard, Matthew A.; Brück, Ekkes
  • Advanced Materials, Vol. 23, Issue 7
  • DOI: 10.1002/adma.201002180

Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
journal, December 1995


Itinerant metamagnetism in YCO 2
journal, July 1984


Direct measurements of magnetocaloric effect in the first-order system LaFe11.7Si1.3
journal, May 2003

  • Hu, F. X.; Ilyn, Max; Tishin, A. M.
  • Journal of Applied Physics, Vol. 93, Issue 9
  • DOI: 10.1063/1.1563036

Element-Resolved Thermodynamics of Magnetocaloric LaFe 13 x Si x
journal, February 2015


Nuclear resonant spectroscopy
journal, January 2004


Investigation on structural and magnetocaloric properties of LaFe13−Si (H,C) compounds
journal, January 2016


Adiabatic Electron-Phonon Interaction and High-Temperature Thermodynamics of A 15 Compounds
journal, September 2008


Resonance Absorption of Nuclear Gamma Rays and the Dynamics of Atomic Motions
journal, November 1960