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Analysis of nuclear quadrupolar resonance frequency components using the first principle calculation for electronic structure

Research Project

Project/Area Number 25400342
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Condensed matter physics II
Research InstitutionKobe University

Principal Investigator

HARIMA Hisatomo  神戸大学, 理学研究科, 教授 (50211496)

Project Period (FY) 2013-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2015: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2014: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2013: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Keywords核四重極共鳴 / 第一原理電子状態計算 / 強相関電子系 / 電場勾配 / 相転移
Outline of Final Research Achievements

We have studied the microscopic origin of nuclear quadrupole resonance frequencies through the separation of the electric field gradient obtained in the electronic structure calculation and the analysis of the external parameter dependence. Particularly, in SmB6, the electric field gradients are separated for two components from the inside of MT (muffin-tin) sphere and the outside. Then, the microscopic origin of the pressure dependence has been studied. In parallel, the influence on the electric field gradient due to the mass correction effect in the spin-orbit coupling has been studied, quantitatively. In addition, the calculations of the electric field gradient for many compounds have been carried out. Now, it is progressing to a unified understanding of the microscopic origin of the electric field gradient.

Report

(5 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (44 results)

All 2017 2016 2015 2014 2013 Other

All Int'l Joint Research (2 results) Journal Article (25 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 25 results,  Acknowledgement Compliant: 19 results,  Open Access: 9 results) Presentation (16 results) (of which Int'l Joint Research: 3 results,  Invited: 6 results) Remarks (1 results)

  • [Int'l Joint Research] MPI-CPfS Dresden(ドイツ)

    • Related Report
      2015 Research-status Report
  • [Int'l Joint Research] CNRS-Grenoble/CEA-Grenoble(フランス)

    • Related Report
      2015 Research-status Report
  • [Journal Article] Unique Electronic States in Non-centrosymmetric Cubic Compounds2017

    • Author(s)
      M. Kakihana, K. Nishimura, Y. Ashitomi, T. Yara, D. Aiki, A. Nakamura, F. Honda, M. Nakashima, Y. Amako, Y. Uwatoko, T. Sakakibara, S. Nakamura, T. Takeuchi, Y. Haga, E. Yamamoto, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      Journal of ELECTRONIC MATERIALS

      Volume: - Issue: 6 Pages: 1-13

    • DOI

      10.1007/s11664-016-5265-z

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Superconducting, Fermi surface, and magnetic properties in SrTGe3 and EuTGe3 (T: transition metal) with the Rashba-type tetragonal structure2016

    • Author(s)
      M. Kakihana, H. Akamine, K. Tomori, K. Nishimura, A. Teruya, A. Nakamura, F. Honda, D. Aoki, M. Nakashima, Y. Amako, K. Matsubayashi, Y. Uwatoko, T. Takeuchi, T. Kida, M. Hagiwara, Y. Haga, E. Yamamoto, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 694 Pages: 439-451

    • DOI

      10.1016/j.jallcom.2016.09.287

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Site-selective 11B NMR studies on YbAlB42016

    • Author(s)
      S Takano, M S Grbic, K Kimura, M Yoshida, M Takigawa, E C T O'Farrell, K Kuga, S Nakatsuji, H Harima
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 683 Pages: 012008-012008

    • DOI

      10.1088/1742-6596/683/1/012008

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Characteristic Fermi surfaces and charge density wave in SrAl4 and related compounds with the BaAl4-type tetragonal structure2016

    • Author(s)
      A. Nakamura, T. Uejo, H. Harima, S. Araki, T.C. Kobayashi, M. Nakashima, Y. Amako, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 654 Pages: 290-299

    • DOI

      10.1016/j.jallcom.2015.08.193

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Superconducting and Fermi Surface Properties of Single Crystal Zr2Co2016

    • Author(s)
      A. Teruya, M. Kakihana, T. Takeuchi, D. Aoki, F. Honda, A. Nakamura, Y. Haga, K. Matsubayashi, Y. Uwatoko, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 85 Issue: 3 Pages: 034706-10

    • DOI

      10.7566/jpsj.85.034706

    • NAID

      210000133865

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Characteristic Fermi Surface Properties of V2Ga5, CoGa3, TiGa3, ZrGa3, and ZrAl3 with Different Tetragonal Structures2015

    • Author(s)
      A. Teruya, M. Takeda, A. Nakamura, H. Harima, Y. Haga, K. Uchima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 84 Issue: 5 Pages: 054703-15

    • DOI

      10.7566/jpsj.84.054703

    • NAID

      210000133555

    • Related Report
      2015 Research-status Report 2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] 73Ge-Nuclear Magnetic Resonance/Nuclear Quadrupole Resonance Investigation of Magnetic Properties of URhGe2015

    • Author(s)
      H. Kotegawa, K. Fukumoto, T. Toyama, H. Tou, H. Harima, A. Harada, Y. Kitaoka, Y. Haga, E. Yamamoto, Y. Onuki, K. M. Itoh, and E. E. Haller
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 84 Issue: 5 Pages: 054710-054710

    • DOI

      10.7566/jpsj.84.054710

    • NAID

      210000133562

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Split Fermi Surface Properties in Ullmannite NiSbS and PdBiSe with the Cubic Chiral Crystal Structure2015

    • Author(s)
      M. Kakihana, A. Teruya, K. Nishimura, A. Nakamura, T. Takeuchi, Y. Haga, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 84 Issue: 9 Pages: 094711-8

    • DOI

      10.7566/jpsj.84.094711

    • NAID

      210000133681

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Quasi-two-dimensional Fermi surfaces of the heavy-fermion superconductor Ce2PdIn82015

    • Author(s)
      K. Gotze, J. Klotz, D. Gnida, H. Harima, D. Aoki, A. Demuer, S. Elgazzar, J. Wosnitza, D. Kaczorowski, I. Sheikin
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 92 Issue: 11 Pages: 115141-115141

    • DOI

      10.1103/physrevb.92.115141

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Crossover Phase Diagram and Electronic State in the Heavy-Fermion Metamagnets UIr2Zn20 and UCo2Zn202015

    • Author(s)
      Yusuke Hirose, Tetsuya Takeuchi, Fuminori Honda, Shingo Yoshiuchi, Masayuki Hagiwara, Etsuji Yamamoto, Yoshinori Haga, Rikio Settai, and Yoshichika Onuki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 84 Issue: 12 Pages: 124711-9

    • DOI

      10.7566/jpsj.84.124711

    • NAID

      210000133625

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Fermi Surface Properties Based on the Relativistic Effect in SrBi3 with AuCu3-Type Cubic Structure2015

    • Author(s)
      M. Kakihana, H. Akamine, T. Yara, A. Teruya, A. Nakamura, T. Takeuchi, M. Hedo, T. Nakama, Y Onuki, H. Harima
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 84 Issue: 12 Pages: 124702-7

    • DOI

      10.7566/jpsj.84.124702

    • NAID

      210000133771

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic Structures and the Spin-splittings in Ullmannite-type Structure Compounds2015

    • Author(s)
      H. Harima
    • Journal Title

      Physics Procedia

      Volume: 75 Pages: 114-120

    • DOI

      10.1016/j.phpro.2015.12.016

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Studies of 27Al NMR in SrAl42015

    • Author(s)
      H. Niki, N. Higa, H. Kuroshima, T. Toji, M. Morishima, M. Minei, M. Yogi, A. Nakamura, M. Hedo, T. Nakama, Y. Onuki, H. Harima
    • Journal Title

      Physics Procedia

      Volume: 75 Pages: 763-770

    • DOI

      10.1016/j.phpro.2015.12.099

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] De Haas-van Alphen Effect and Fermi Surface Properties in Ferromagnet LaCo2P2 and Related Compounds2015

    • Author(s)
      A. Teruya, A. Nakamura, T. Takeuchi, F. Honda, D. Aoki, H. Harima, K. Uchima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      Physics Procedia

      Volume: 75 Pages: 876-883

    • DOI

      10.1016/j.phpro.2015.12.113

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] De Haas-van Alphen Effect in Rh2Ga9 and Ir2Ga9 without Inversion Symmetry in the Crystal Structure and Related Compounds T2Al9 (T: Co, Rh, Ir) with Inversion Symmetry2015

    • Author(s)
      M. Takeda, A. Teruya, A. Nakamura, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 84 Issue: 2 Pages: 024701-024701

    • DOI

      10.7566/jpsj.84.024701

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Split Fermi Surface Properties based on the Relativistic Effect in Superconductor PdBiSe with the Cubic Chiral Crystal Structure2015

    • Author(s)
      M. Kakihana, A. Nakamura, A. Teruya, H. Harima, Y. Haga, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 84 Issue: 3 Pages: 033701-033701

    • DOI

      10.7566/jpsj.84.033701

    • NAID

      40020394787

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] The spin directions of the Parity violated spin-splitting states in non-centrosymmetric compounds2015

    • Author(s)
      Hisatomo Harima, Takeshi Goho Takahiro Tomi
    • Journal Title

      J. Phys: Conf. Series

      Volume: 592 Pages: 012040-012040

    • DOI

      10.1088/1742-6596/592/1/012040

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Effect of Pressure on the Electronic state in Eu-Divalent EuTIn4 (T: Ni, Pd, Pt, Au) Compounds2015

    • Author(s)
      M. Hedo, Y. Hiranaka, A. Nakamura, K. Tomori, F. Honda, Y. Haga, H. Harima, K. Matsubayashi, Y. Uwatoko, T. Nakama Y Onuki
    • Journal Title

      J. Phys: Conf. Series

      Volume: 592 Pages: 012047-012047

    • DOI

      10.1088/1742-6596/592/1/012047

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Fermi Surface Properties of Eu-Divalent and Eu-Trivalent Electronic States with the AuCu3-type Cubic Structure2015

    • Author(s)
      A. Nakamura, T. Takeuchi, Y. Tatetsu, T. Maehira, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys: Conf. Series

      Volume: 592 Pages: 1-6

    • DOI

      10.1088/1742-6596/592/1/012048

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Mass Enhancement of Nearly Trivalent Compound EuCo2Si2: Studied by the de Haas-van Alphen Experiments and Energy Band Calculations2015

    • Author(s)
      Y. Onuki, A. Nakamura, D. Aoki, M. Boukahil, Y. Haga, T. Takeuchi, H. Harima, M. Hedo, T. Nakama
    • Journal Title

      J. Phys: Conf. Series

      Volume: 592 Pages: 012049-012049

    • DOI

      10.1088/1742-6596/592/1/012049

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Electronic structure with antiferro-electric-multipole ordering in PrRu4P122015

    • Author(s)
      T. Goho, H. Harima
    • Journal Title

      J. Phys: Conf. Series

      Volume: 592 Pages: 012100-012100

    • DOI

      10.1088/1742-6596/592/1/012100

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] De Haas-van Alphen Effect and Fermi Surface Properties of EuPd3 with the Trivalent Electronic State2014

    • Author(s)
      A. Nakamura, T. Takeuchi, H. Harima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 83 Issue: 5 Pages: 053708-053708

    • DOI

      10.7566/jpsj.83.053708

    • NAID

      210000133067

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [Journal Article] Magnetic and Fermi Surface Properties of Antiferromagnet EuCd112014

    • Author(s)
      A. Nakamura, Y. Hiranaka, T. Uejo, T. Takeuchi, F. Honda, H. Harima, K. Matsubayashi, Y. Uwatoko, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 83 Issue: 7 Pages: 074714-074714

    • DOI

      10.7566/jpsj.83.074714

    • NAID

      210000133195

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] De Haas-van Alphen Effect and Fermi Surface Properties in Nearly Ferromagnet SrCo2P22014

    • Author(s)
      A. Teruya, A. Nakamura, T. Takeuchi, H. Harima, K. Uchima, M. Hedo, T. Nakama, Y. Onuki
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 83 Issue: 11 Pages: 113702-113702

    • DOI

      10.7566/jpsj.83.113702

    • NAID

      210000133320

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] The Relation between the Electronic Field Gradients at Sb-Site and the Lattice Parameters in PrOs4Sb122014

    • Author(s)
      Takeshi GOHO and Hisatomo HARIMA
    • Journal Title

      JPS Conference Proceedings

      Volume: 3

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] Split Fermi surfaces in chiral cubic ullmannite-type compounds2016

    • Author(s)
      H. Harima
    • Organizer
      Asia Pacific Workshop(APW) - CEMS Joint Workshop on “Highlights of modern condensed matter physics”
    • Place of Presentation
      Okochi Hall, RIKEN, Wako, (Saitama)
    • Year and Date
      2016-01-25
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] SmB6におけるNQR周波数と圧力の相関に関するFLAPW法を用いた理論的研究2016

    • Author(s)
      廣田秋俊, 舩島洋紀, 播磨尚朝
    • Organizer
      日本物理学会2016年秋季大会
    • Place of Presentation
      金沢大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] パイライト型CoSe2の電子構造とフェルミ面2015

    • Author(s)
      播磨尚朝
    • Organizer
      第15 回琉球物性研究会
    • Place of Presentation
      琉球大学 理系複合棟102 教室
    • Year and Date
      2015-11-28
    • Related Report
      2015 Research-status Report
  • [Presentation] The origin of band splitting due to the lack of space inversion symmetry2015

    • Author(s)
      H. Harima
    • Organizer
      Toyota RIKEN International Workshop
    • Place of Presentation
      Nagoya University (Nagoya)
    • Year and Date
      2015-11-17
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Electronic structures and the spin-splittings in ullmannite-type structure compounds2015

    • Author(s)
      H. Harima
    • Organizer
      20th International Conference on Magnetism
    • Place of Presentation
      Palau de Congressos de Catalunya, Barcelona (Spain)
    • Year and Date
      2015-07-05
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] PdBiSe のフェルミ面:スピン軌道相互作用における質量補正の効果2015

    • Author(s)
      播磨尚朝
    • Organizer
      日本物理学会第70回年次大会
    • Place of Presentation
      早稲田大学
    • Year and Date
      2015-03-22
    • Related Report
      2014 Research-status Report
  • [Presentation] PdBiSe のフェルミ面:スピン軌道相互作用における質量補正の効果2014

    • Author(s)
      播磨尚朝
    • Organizer
      第14回琉球大学物性研究会
    • Place of Presentation
      琉球大学理系複合棟202教室
    • Year and Date
      2014-11-22
    • Related Report
      2014 Research-status Report
  • [Presentation] THE PARITY VIOLATION SPLITTING IN NON-CENTROSYMMETRIC COMPOUNDS2014

    • Author(s)
      H. Harima
    • Organizer
      27th international Conference on Low Temperature Physics
    • Place of Presentation
      Palais Rouge,(Buenos Aires, Argentina)
    • Year and Date
      2014-08-11
    • Related Report
      2014 Research-status Report
  • [Presentation] The Parity Violated Band Splitting and the Spin Directions in Non-Centrosymmetric Compounds2014

    • Author(s)
      H. Harima
    • Organizer
      13th Bilateral German-Japanese Symposium
    • Place of Presentation
      Ringberg Castle、Germany
    • Year and Date
      2014-07-14
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] The spin directions of the Parity violated spin-splitting states in non-centrosymmetric compounds2014

    • Author(s)
      H. Harima
    • Organizer
      SCES2014 Grenoble
    • Place of Presentation
      Grenoble University (Grenoble, France)
    • Year and Date
      2014-07-08
    • Related Report
      2014 Research-status Report
  • [Presentation] PrRu4P12における反強電気多極子秩序状態での電子構造2014

    • Author(s)
      五宝健
    • Organizer
      日本物理学会第69回年次大会
    • Place of Presentation
      東海大学
    • Related Report
      2013 Research-status Report
  • [Presentation] Electronic states and the characteristics of locally non-centrosymmetric structures2013

    • Author(s)
      H. Harima
    • Organizer
      The IMR-ASRC 4th REIMEI International Workshop
    • Place of Presentation
      茨城量子ビーム研究センター
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] The relation between the Electric Field Gradient at Sb-Site and the Lattice Parameters in PrOs4Sb122013

    • Author(s)
      T. Goho
    • Organizer
      The international Conference on Strongly Correlated Electron Systems
    • Place of Presentation
      伊藤国際学術研究センター
    • Related Report
      2013 Research-status Report
  • [Presentation] Crystal and electronic structure of α- and β-YbAlB42013

    • Author(s)
      H. Harima
    • Organizer
      Workshop on Quantum Criical Phenomenum in YbAlB4
    • Place of Presentation
      ホテルラフォーレ那須
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] PrOs4Sb12におけるSbでの電場勾配の格子パラメータ依存性2013

    • Author(s)
      五宝健
    • Organizer
      日本物理学会2013年秋季大会
    • Place of Presentation
      徳島大学
    • Related Report
      2013 Research-status Report
  • [Presentation] Quantum Oscillations -symmetry-2013

    • Author(s)
      H. Harima
    • Organizer
      workshop “Hidden Order, Superconductivity, and Magnetism in URu2Si2
    • Place of Presentation
      ライデン大学ローレンツセンター
    • Related Report
      2013 Research-status Report
    • Invited
  • [Remarks] HARIMA's Page

    • URL

      http://www2.kobe-u.ac.jp/~hh/

    • Related Report
      2015 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2020-05-15  

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