Valence-lattice interaction on YbPd

Takumi Hasegawa, Norio Ogita, Akihiro Mitsuda, Masaki Sugishima, Hirofumi Wada, Satoshi Tsutsui, Masayuki Udagawa

Research output: Contribution to journalConference article

Abstract

An intermediate valence compound YbPd undergoes successive structural transitions at 105 K and 125 K. The recent inelastic X-ray scattering measurement have revealed softening of longitudinal acoustic (LA) mode around X point, q =(0, 0, 0.5). We have attempted to reproduce this softening from first-principles calculations. The calculated results with fixed valence Yb do not show any anomaly in the LA mode around X. To include valence change in the lattice vibrations, the nearest-neighbor valence-lattice interaction has been added. The interaction reduces the energy of the LA mode around X as observed by the experiment. This soft mode leads to the structure below 105 K. On the other hand, the lowest energy is found at the slightly different wavevector, q =(0.1, 0.1, 0.5). This wavevector corresponds to the superlattice reflection observed by the experiment in the intermediate incommensurate phase between 105 K and 125 K. Therefore, the successive structural transitions of YbPd can be correctly reproduced by including this valence-lattice interaction.

Original languageEnglish
Article number012061
JournalJournal of Physics: Conference Series
Volume592
Issue number1
DOIs
Publication statusPublished - Jan 1 2014
Event2014 International Conference on Strongly Correlated Electron Systems, SCES 2014 - Grenoble, France
Duration: Jul 7 2014Jul 14 2014

Fingerprint

valence
softening
interactions
acoustics
lattice vibrations
anomalies
energy
scattering
x rays

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Hasegawa, T., Ogita, N., Mitsuda, A., Sugishima, M., Wada, H., Tsutsui, S., & Udagawa, M. (2014). Valence-lattice interaction on YbPd. Journal of Physics: Conference Series, 592(1), [012061]. https://doi.org/10.1088/1742-6596/592/1/012061

Valence-lattice interaction on YbPd. / Hasegawa, Takumi; Ogita, Norio; Mitsuda, Akihiro; Sugishima, Masaki; Wada, Hirofumi; Tsutsui, Satoshi; Udagawa, Masayuki.

In: Journal of Physics: Conference Series, Vol. 592, No. 1, 012061, 01.01.2014.

Research output: Contribution to journalConference article

Hasegawa, T, Ogita, N, Mitsuda, A, Sugishima, M, Wada, H, Tsutsui, S & Udagawa, M 2014, 'Valence-lattice interaction on YbPd', Journal of Physics: Conference Series, vol. 592, no. 1, 012061. https://doi.org/10.1088/1742-6596/592/1/012061
Hasegawa, Takumi ; Ogita, Norio ; Mitsuda, Akihiro ; Sugishima, Masaki ; Wada, Hirofumi ; Tsutsui, Satoshi ; Udagawa, Masayuki. / Valence-lattice interaction on YbPd. In: Journal of Physics: Conference Series. 2014 ; Vol. 592, No. 1.
@article{c167ca9854ea40a9a048ca148df36c4d,
title = "Valence-lattice interaction on YbPd",
abstract = "An intermediate valence compound YbPd undergoes successive structural transitions at 105 K and 125 K. The recent inelastic X-ray scattering measurement have revealed softening of longitudinal acoustic (LA) mode around X point, q =(0, 0, 0.5). We have attempted to reproduce this softening from first-principles calculations. The calculated results with fixed valence Yb do not show any anomaly in the LA mode around X. To include valence change in the lattice vibrations, the nearest-neighbor valence-lattice interaction has been added. The interaction reduces the energy of the LA mode around X as observed by the experiment. This soft mode leads to the structure below 105 K. On the other hand, the lowest energy is found at the slightly different wavevector, q =(0.1, 0.1, 0.5). This wavevector corresponds to the superlattice reflection observed by the experiment in the intermediate incommensurate phase between 105 K and 125 K. Therefore, the successive structural transitions of YbPd can be correctly reproduced by including this valence-lattice interaction.",
author = "Takumi Hasegawa and Norio Ogita and Akihiro Mitsuda and Masaki Sugishima and Hirofumi Wada and Satoshi Tsutsui and Masayuki Udagawa",
year = "2014",
month = "1",
day = "1",
doi = "10.1088/1742-6596/592/1/012061",
language = "English",
volume = "592",
journal = "Journal of Physics: Conference Series",
issn = "1742-6588",
publisher = "IOP Publishing Ltd.",
number = "1",

}

TY - JOUR

T1 - Valence-lattice interaction on YbPd

AU - Hasegawa, Takumi

AU - Ogita, Norio

AU - Mitsuda, Akihiro

AU - Sugishima, Masaki

AU - Wada, Hirofumi

AU - Tsutsui, Satoshi

AU - Udagawa, Masayuki

PY - 2014/1/1

Y1 - 2014/1/1

N2 - An intermediate valence compound YbPd undergoes successive structural transitions at 105 K and 125 K. The recent inelastic X-ray scattering measurement have revealed softening of longitudinal acoustic (LA) mode around X point, q =(0, 0, 0.5). We have attempted to reproduce this softening from first-principles calculations. The calculated results with fixed valence Yb do not show any anomaly in the LA mode around X. To include valence change in the lattice vibrations, the nearest-neighbor valence-lattice interaction has been added. The interaction reduces the energy of the LA mode around X as observed by the experiment. This soft mode leads to the structure below 105 K. On the other hand, the lowest energy is found at the slightly different wavevector, q =(0.1, 0.1, 0.5). This wavevector corresponds to the superlattice reflection observed by the experiment in the intermediate incommensurate phase between 105 K and 125 K. Therefore, the successive structural transitions of YbPd can be correctly reproduced by including this valence-lattice interaction.

AB - An intermediate valence compound YbPd undergoes successive structural transitions at 105 K and 125 K. The recent inelastic X-ray scattering measurement have revealed softening of longitudinal acoustic (LA) mode around X point, q =(0, 0, 0.5). We have attempted to reproduce this softening from first-principles calculations. The calculated results with fixed valence Yb do not show any anomaly in the LA mode around X. To include valence change in the lattice vibrations, the nearest-neighbor valence-lattice interaction has been added. The interaction reduces the energy of the LA mode around X as observed by the experiment. This soft mode leads to the structure below 105 K. On the other hand, the lowest energy is found at the slightly different wavevector, q =(0.1, 0.1, 0.5). This wavevector corresponds to the superlattice reflection observed by the experiment in the intermediate incommensurate phase between 105 K and 125 K. Therefore, the successive structural transitions of YbPd can be correctly reproduced by including this valence-lattice interaction.

UR - http://www.scopus.com/inward/record.url?scp=84925308574&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84925308574&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/592/1/012061

DO - 10.1088/1742-6596/592/1/012061

M3 - Conference article

AN - SCOPUS:84925308574

VL - 592

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012061

ER -