Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

Kumar, Ravhi S.; Svane, Axel; Vaitheeswaran, Ganapathy; Kanchana, Venkatakrishnan; Antonio, Daniel; Cornelius, Andrew L.; Bauer, Eric D.; Xiao, Yuming; Chow, Paul

doi:10.1021/acs.inorgchem.5b01534

Title: Effect of Pressure on Valence and Structural Properties of YbFe ₂ Ge ₂ Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

Full Record
Other Related Research

Abstract

We measured the crystal structure and the Yb valence of the YbFe₂Ge₂ heavy fermion compound at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. Moreover, the measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. Finally, while the ThCr₂Si₂-type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence from v = 2.72(2) at ambient pressure to v = 2.93(3) at ~9 GPa, where at low temperature a pressure-induced quantum critical state was reported.

Authors:

Kumar, Ravhi S. ^[1]; Svane, Axel ^[2]; Vaitheeswaran, Ganapathy ^[3]; Kanchana, Venkatakrishnan ^[4]; Antonio, Daniel ^[1]; Cornelius, Andrew L. ^[1]; Bauer, Eric D. ^[5]; Xiao, Yuming ^[6]; Chow, Paul ^[6]

Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy and HiPSEC
Aarhus Univ. (Denmark). Dept. of Physics and Astronomy
Univ. of Hyderabad, Telengana (India). Inst. of Technology Hyderabad
Indian Inst. of Technology Hyderabad, Telengana (India)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Argonne National Lab. (ANL), Argonne, IL (United States). Carnegie Inst. of Washington and Advance Photon Source

Publication Date:: Mon Oct 19 00:00:00 EDT 2015

Research Org.:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113); USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

OSTI Identifier:: 1332340

Grant/Contract Number:: NA0001982; SC0001928; NA0001974; FG02-99ER45775; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Inorganic Chemistry

Additional Journal Information:: Journal Volume: 54; Journal Issue: 21; Journal ID: ISSN 0020-1669

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats


                    Kumar, Ravhi S., Svane, Axel, Vaitheeswaran, Ganapathy, Kanchana, Venkatakrishnan, Antonio, Daniel, Cornelius, Andrew L., Bauer, Eric D., Xiao, Yuming, and Chow, Paul. Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation.  United States: N. p., 2015. 
Web.  doi:10.1021/acs.inorgchem.5b01534.

Copy to clipboard


                    Kumar, Ravhi S., Svane, Axel, Vaitheeswaran, Ganapathy, Kanchana, Venkatakrishnan, Antonio, Daniel, Cornelius, Andrew L., Bauer, Eric D., Xiao, Yuming, & Chow, Paul. Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation.  United States.  https://doi.org/10.1021/acs.inorgchem.5b01534

Copy to clipboard


                    Kumar, Ravhi S., Svane, Axel, Vaitheeswaran, Ganapathy, Kanchana, Venkatakrishnan, Antonio, Daniel, Cornelius, Andrew L., Bauer, Eric D., Xiao, Yuming, and Chow, Paul. Mon .  
"Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation".  United States.  https://doi.org/10.1021/acs.inorgchem.5b01534.  https://www.osti.gov/servlets/purl/1332340.

Copy to clipboard


                    
@article{osti_1332340,

  title        = {Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation},

  author       = {Kumar, Ravhi S. and Svane, Axel and Vaitheeswaran, Ganapathy and Kanchana, Venkatakrishnan and Antonio, Daniel and Cornelius, Andrew L. and Bauer, Eric D. and Xiao, Yuming and Chow, Paul},

  abstractNote = {We measured the crystal structure and the Yb valence of the YbFe2Ge2 heavy fermion compound at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. Moreover, the measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. Finally, while the ThCr2Si2-type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence from v = 2.72(2) at ambient pressure to v = 2.93(3) at ~9 GPa, where at low temperature a pressure-induced quantum critical state was reported.},

  doi          = {10.1021/acs.inorgchem.5b01534},

  journal      = {Inorganic Chemistry},

  number       = 21,

  volume       = 54,

  place        = {United States},

  year         = {Mon Oct 19 00:00:00 EDT 2015},

  month        = {Mon Oct 19 00:00:00 EDT 2015}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1021/acs.inorgchem.5b01534

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 3 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Effect of Pressure on Valence and Structural Properties of YbFe₂Ge₂ Heavy Fermion Compound A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

Journal Article Kumar, Ravhi S. ; Svane, Axel ; Vaitheeswaran, Ganapathy ; ... - Inorganic Chemistry

The crystal structure and the Yb valence of the YbFe₂Ge₂ heavy fermion compound was measured at room temperature and under high pressures using high-pressure powder X-ray diffraction and X-ray absorption spectroscopy via both partial fluorescence yield and resonant inelastic X-ray emission techniques. Furthermore, the measurements are complemented by first-principles density functional theoretical calculations using the self-interaction corrected local spin density approximation investigating in particular the magnetic structure and the Yb valence. While the ThCr₂Si₂-type tetragonal (I4/mmm) structure is stable up to 53 GPa, the X-ray emission results show an increase of the Yb valence from v = 2.72(2) at ambientmore »« less
https://doi.org/10.1021/acs.inorgchem.5b01534
Pressure-Induced Valence and Structural Changes in YbMn₂Ge₂-Inelastic X-ray Spectroscopy and Theoretical Investigations

Journal Article Kumar, Ravhi S ; Svane, A ; Vaitheeswaran, G ; ... - Inorganic Chemistry

The pressure-induced valence change of Yb in YbMn₂Ge₂ has been studied by high pressure inelastic X-ray emission and absorption spectroscopy in the partial fluorescence yield mode up to 30 GPa. The crystal structure of YbMn₂Ge₂ has been investigated by high pressure powder X-ray diffraction experiments up to 40 GPa. The experimental investigations have been complemented by first principles density functional theoretical calculations using the generalized gradient approximation with an evolutionary algorithm for structural determination. The Yb valence and magnetic structures have been calculated using the self-interaction corrected local spin density approximation. The X-ray emission results indicate a sharp increase ofmore »« less
https://doi.org/10.1021/ic3019698
Single crystal X-ray diffraction study of a mixed-valence gold compound, Cs{sub 2}Au{sup I}Au{sup III}Cl{sub 6} under high pressures up to 18 GPa: Pressure-induced phase transition coupled with gold valence transition

Journal Article Matsushita, Nobuyuki ; Department of Basic Science, Graduate School of Arts and Sciences, University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902 ; Ahsbahs, Hans ; ... - Journal of Solid State Chemistry

We performed the single-crystal X-ray diffraction study of a perovskite-type gold mixed-valence compound, Cs{sub 2}Au{sup I}Au{sup III}Cl{sub 6}, under high pressures up to 18 GPa by using a diamond-anvil-cell with helium gas as an ideal hydrostatic pressure-transmitting medium. The lattice parameters and the variable atomic positional parameters were obtained with reasonable accuracy at various pressures. A structural phase transition at ca. 12.5 GPa from I4/mmm to Pm3m was found. The lattice parameters a {sub 0} and c {sub 0}, denoted in the tetragonal cell setting, result in the relationship 2{sup 1/2} a {sub 0}=c {sub 0}, and the superstructure reflectionsmore »« less
https://doi.org/10.1016/j.jssc.2007.01.037
Pressure-induced valence change in YbAl[subscript 3]: A combined high-pressure inelastic x-ray scattering and theoretical investigation

Journal Article Kumar, Ravhi S ; Svane, Axel ; Vaitheeswaran, G ; ... - Phys. Rev. B

High-resolution x-ray-absorption (XAS) experiments in the partial fluorescence yield mode (PFY) and resonant inelastic x-ray emission (RXES) measurements were performed on the intermediate-valence compound YbAl{sub 3} under pressure of up to 38 GPa. The results of the YbAl{sub 3} PFY-XAS and RXES studies show that the valence of Yb increases smoothly from 2.75 at ambient pressure to 2.93 at 38 GPa. In situ angle-dispersive synchrotron high-pressure x-ray-diffraction experiments carried out using a diamond cell at room temperature show that the ambient pressure cubic phase is stable up to 40 GPa. The results obtained from self-interaction corrected local spin density-functional calculationsmore »« less
https://doi.org/10.1103/PhysRevB.78.075117
Pressure-induced valence change in YbAl3: a combined high pressure inelastic x-ray scattering and theoretical investigation

Journal Article Bauer, E D ; Kumar, R S ; Svane, A ; ... - Physical Review. B, Condensed Matter and Materials Physics

High resolution x-ray absorption (XAS) experiments in the partial fluorescence yield mode (PFY) and resonant inelastic x-ray emission (RXES) measurements under pressure were performed on the intermediate valence compound YbAl{sub 3} up to 38 GPa. The results of the Yb L{sub 3} PFY-XAS and RXES studies show a smooth valence increase in YbAl{sub 3} from 2.75 to 2.93 at ambient to 38 GPa. In-situ angle dispersive synchrotron high pressure x-ray diffraction experiments carried out using a diamond cell at room temperature to study the equation of state showed the ambient cubic phase stable up to 40 GPa. The results obtainedmore »« less
Full Text Available

Similar Records

Title: Effect of Pressure on Valence and Structural Properties of YbFe 2 Ge 2 Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation

Abstract

Citation Formats

Title: Effect of Pressure on Valence and Structural Properties of YbFe ₂ Ge ₂ Heavy Fermion Compound—A Combined Inelastic X-ray Spectroscopy, X-ray Diffraction, and Theoretical Investigation