Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure

Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> is a heavy fermion compound near the quantum critical point (QCP). Its crystal structure may exhibit magnetic frustration due to a honeycomb arrangement; however, stacking faults in the crystal hinder structural analysis...

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Main Authors: Yuji Matsumoto, Yuki Watabe, Fabio Iesari, Masakatsu Osumi, Kyugo Ota, Yoshinori Haga, Keisuke Hatada, Toshihiro Okajima
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Metals
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Online Access:https://www.mdpi.com/2075-4701/15/4/436
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author Yuji Matsumoto
Yuki Watabe
Fabio Iesari
Masakatsu Osumi
Kyugo Ota
Yoshinori Haga
Keisuke Hatada
Toshihiro Okajima
author_facet Yuji Matsumoto
Yuki Watabe
Fabio Iesari
Masakatsu Osumi
Kyugo Ota
Yoshinori Haga
Keisuke Hatada
Toshihiro Okajima
author_sort Yuji Matsumoto
collection DOAJ
description Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> is a heavy fermion compound near the quantum critical point (QCP). Its crystal structure may exhibit magnetic frustration due to a honeycomb arrangement; however, stacking faults in the crystal hinder structural analysis. As a local structure probe, extended X-ray absorption fine structure (EXAFS) is less sensitive to stacking faults and is a powerful tool for crystal structure determination. We synthesized single-crystal Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub>, performed single-crystal and powder X-ray diffraction experiments, and conducted X-ray absorption spectroscopy (XAS) measurements. The composition of Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> deviates from stoichiometry, suggesting Ce and Ga enrichment or Pt site deficiencies. A comparison of X-ray absorption near-edge structure (XANES) at the Ce L<sub>3</sub>-edge with reference materials suggests that Ce valence is likely trivalent. To determine the exact structure, we simultaneously analyzed EXAFS spectra at the Ce L<sub>3</sub>-, Pt L<sub>3</sub>-, and Ga K-edges. The EXAFS spectra of Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> are inconsistent with the hexagonal Sc<sub>0.6</sub>Fe<sub>2</sub>Si<sub>4.9</sub>-type structure but are better explained by an orthorhombic structure with a honeycomb arrangement.
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spelling doaj-art-09812b3a08cd4cbeb2eeec039f5984302025-08-20T03:13:52ZengMDPI AGMetals2075-47012025-04-0115443610.3390/met15040436Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine StructureYuji Matsumoto0Yuki Watabe1Fabio Iesari2Masakatsu Osumi3Kyugo Ota4Yoshinori Haga5Keisuke Hatada6Toshihiro Okajima7Graduate School of Science and Engineering, University of Toyama, Toyama 930-8555, JapanGraduate School of Science and Engineering, University of Toyama, Toyama 930-8555, JapanAichi Synchrotron Radiation Center, Seto 489-0965, JapanGraduate School of Science and Engineering, University of Toyama, Toyama 930-8555, JapanGraduate School of Science and Engineering, University of Toyama, Toyama 930-8555, JapanAdvanced Science Research Center, Japan Atomic Energy Agency, Tokai 319-1195, JapanGraduate School of Science and Engineering, University of Toyama, Toyama 930-8555, JapanAichi Synchrotron Radiation Center, Seto 489-0965, JapanCe<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> is a heavy fermion compound near the quantum critical point (QCP). Its crystal structure may exhibit magnetic frustration due to a honeycomb arrangement; however, stacking faults in the crystal hinder structural analysis. As a local structure probe, extended X-ray absorption fine structure (EXAFS) is less sensitive to stacking faults and is a powerful tool for crystal structure determination. We synthesized single-crystal Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub>, performed single-crystal and powder X-ray diffraction experiments, and conducted X-ray absorption spectroscopy (XAS) measurements. The composition of Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> deviates from stoichiometry, suggesting Ce and Ga enrichment or Pt site deficiencies. A comparison of X-ray absorption near-edge structure (XANES) at the Ce L<sub>3</sub>-edge with reference materials suggests that Ce valence is likely trivalent. To determine the exact structure, we simultaneously analyzed EXAFS spectra at the Ce L<sub>3</sub>-, Pt L<sub>3</sub>-, and Ga K-edges. The EXAFS spectra of Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> are inconsistent with the hexagonal Sc<sub>0.6</sub>Fe<sub>2</sub>Si<sub>4.9</sub>-type structure but are better explained by an orthorhombic structure with a honeycomb arrangement.https://www.mdpi.com/2075-4701/15/4/436single-crystal X-ray diffractionheavy fermionCe2Pt6Ga15XASXANESEXAFS
spellingShingle Yuji Matsumoto
Yuki Watabe
Fabio Iesari
Masakatsu Osumi
Kyugo Ota
Yoshinori Haga
Keisuke Hatada
Toshihiro Okajima
Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure
Metals
single-crystal X-ray diffraction
heavy fermion
Ce2Pt6Ga15
XAS
XANES
EXAFS
title Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure
title_full Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure
title_fullStr Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure
title_full_unstemmed Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure
title_short Local Structure Analysis of Heavy Fermion Ce<sub>2</sub>Pt<sub>6</sub>Ga<sub>15</sub> with a Honeycomb Structure Using Extended X-Ray Absorption Fine Structure
title_sort local structure analysis of heavy fermion ce sub 2 sub pt sub 6 sub ga sub 15 sub with a honeycomb structure using extended x ray absorption fine structure
topic single-crystal X-ray diffraction
heavy fermion
Ce2Pt6Ga15
XAS
XANES
EXAFS
url https://www.mdpi.com/2075-4701/15/4/436
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