Mechanism of enhanced optical second-harmonic generation in the conducting pyrochlore-type Pb2Ir2O7-x oxide compound

Yasuyuki Hirata, Makoto Nakajima, Yusuke Nomura, Hiroyuki Tajima, Yoshitaka Matsushita, Keiko Asoh, Yoko Kiuchi, Adolfo G. Eguiluz, Ryotaro Arita, Tohru Suemoto, Kenya Ohgushi

研究成果: Article査読

35 被引用数 (Scopus)

抄録

The structural, electronic, and optical properties of pyrochlore-type Pb2Ir2O6O0.55′, which is a metal without spatial inversion symmetry at room temperature, were investigated. Structural analysis revealed that the structural distortion relevant to the breakdown of the inversion symmetry is dominated by the Pb-O′ network but is very small in the Ir-O network. At the same time, gigantic second-harmonic generation signals were observed, which can only occur if the local environment of the Ir 5d electrons features broken inversion symmetry. First-principles electronic structure calculations reveal that the underlying mechanism for this phenomenon is the induction of the noncentrosymmetricity in the Ir 5d bands by the strong hybridization with O′ 2p orbitals. Our results stimulate theoretical study of inversion-broken iridates, where exotic quantum states such as a topological insulator and Dirac semimetal are anticipated.

本文言語English
論文番号187402
ジャーナルPhysical review letters
110
18
DOI
出版ステータスPublished - 2013 5月 3
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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