Detecting electron-phonon coupling during photoinduced phase transition
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{
"metadata": {
"is_last": true,
"version": 1,
"title": "Detecting electron-phonon coupling during photoinduced phase transition",
"keywords": [
"DFT",
"DFPT",
"Experimental",
"FDARPES",
"electron-phonon coupling",
"Ta2NiSe5"
],
"description": "This record contains the data supporting our recent findings on electron-phonon coupling during photoinduced phase transition.\nWe measure mode- and band-selective electron-phonon couplings during the photoinduced insulator-to-metal phase transition in Ta<sub>2</sub>NiSe<sub>5</sub> (TNS) by frequency-domain angle-resolved photoemission spectroscopy (FDARPES).\nFDARPES gives us rich information about which band more couples which phonon mode by seeing frequency components of time-resolved angle-resolved photoemission spectra. \nThe experiments indicate 2 THz and 3 THz phonon modes associated with the metallic and semiconducting phases. \nTo get a more atomistic picture of the oscillation, we perform phonon-mode calculations relying on the density-functional theory (DFT).\n\nThe computational scheme itself is very standard that density-functional-perturbation theory (DFPT) with semilocal or local exchange-correlation functionals. \nHowever, the required computational resources were rather huge, 25,000 core-hour, for a single DFPT with atomic position optimization having 0.1 eV/nm force accuracy for more satisfactory computational parameters. \nTherefore, the data must be worth as a benchmark within DFT-level calculation for TNS.",
"license": "Creative Commons Attribution 4.0 International",
"references": [
{
"url": "https://journals.aps.org/prb/abstract/10.1103/PhysRevB.103.L121105",
"type": "Journal reference",
"citation": "Takeshi Suzuki, Yasushi Shinohara, Yangfan Lu, Mari Watanabe, Jiadi Xu, Kenichi L. Ishikawa, Hide Takagi, Minoru Nohara, Naoyuki Katayama, Hiroshi Sawa, Masami Fujisawa, Teruto Kanai, Jiro Itatani, Takashi Mizokawa, Shik Shin, and Kozo Okazaki, Phys. Rev. B 103, L121105 (2021)",
"doi": "10.1103/PhysRevB.103.L121105"
},
{
"url": "https://arxiv.org/abs/2002.10037",
"citation": "Takeshi Suzuki, Yasushi Shinohara, Yangfan Lu, Mari Watanabe, Jiadi Xu, Kenichi L. Ishikawa, Hide Takagi, Minoru Nohara, Naoyuki Katayama, Hiroshi Sawa, Masami Fujisawa, Teruto Kanai, Jiro Itatani, Takashi Mizokawa, Shik Shin, and Kozo Okazaki, arXiv:2002.10037",
"type": "Preprint"
}
],
"doi": "10.24435/materialscloud:c0-q1",
"conceptrecid": "792",
"publication_date": "Mar 26, 2021, 18:22:45",
"edited_by": 100,
"_oai": {
"id": "oai:materialscloud.org:793"
},
"contributors": [
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
],
"familyname": "Suzuki",
"givennames": "Takeshi"
},
{
"affiliations": [
"Photon Science Center, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan",
"Department of Nuclear Engineering and Management, Graduate School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan"
],
"email": "shinohara@atto.t.u-tokyo.ac.jp",
"familyname": "Shinohara",
"givennames": "Yasushi"
},
{
"affiliations": [
"Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033, Japan"
],
"familyname": "Lu",
"givennames": "Yangfan"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
],
"familyname": "Watanabe",
"givennames": "Mari"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
],
"familyname": "Xu",
"givennames": "Jiadi"
},
{
"affiliations": [
"Photon Science Center, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan",
"Department of Nuclear Engineering and Management, Graduate School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan",
"Research Institute for Photon Science and Laser Technology, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan"
],
"familyname": "L. Ishikawa",
"givennames": "Kenichi"
},
{
"affiliations": [
"Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033, Japan",
"Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany"
],
"familyname": "Takagi",
"givennames": "Hide"
},
{
"affiliations": [
"Research Institute for Interdisciplinary Science, Okayama University, Okayama 700-8530, Japan"
],
"familyname": "Nohara",
"givennames": "Minoru"
},
{
"affiliations": [
"Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan"
],
"familyname": "Katayama",
"givennames": "Naoyuki"
},
{
"affiliations": [
"Department of Applied Physics, Nagoya University, Nagoya 464-8603, Japan"
],
"familyname": "Sawa",
"givennames": "Hiroshi"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
],
"familyname": "Fujisawa",
"givennames": "Masami"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
],
"familyname": "Kanai",
"givennames": "Teruto"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan"
],
"familyname": "Itatani",
"givennames": "Jiro"
},
{
"affiliations": [
"School of Advanced Science and Engineering, Waseda University, Shinjuku, Tokyo 169-8555, Japan"
],
"familyname": "Mizokawa",
"givennames": "Takashi"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan",
"AIST-UTokyo Advanced Operando-Measurement Technology Open Innovation Laboratory (OPERAND-OIL), Kashiwa, Chiba 277-8581, Japan",
"Office of University Professor, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan",
"Material Innovation Research Center, The University of Tokyo, Kashiwa, Chiba 277-8561, Japan"
],
"familyname": "Shin",
"givennames": "Shik"
},
{
"affiliations": [
"Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan",
"AIST-UTokyo Advanced Operando-Measurement Technology Open Innovation Laboratory (OPERAND-OIL), Kashiwa, Chiba 277-8581, Japan",
"Material Innovation Research Center, The University of Tokyo, Kashiwa, Chiba 277-8561, Japan",
"Trans-scale Quantum Science Institute, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033, Japan"
],
"familyname": "Okazaki",
"givennames": "Kozo"
}
],
"owner": 211,
"license_addendum": null,
"mcid": "2021.49",
"_files": [
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"id": "793",
"status": "published"
},
"revision": 4,
"updated": "2021-03-26T17:22:45.672276+00:00",
"created": "2021-03-26T09:59:50.955058+00:00",
"id": "793"
}