Breakdown of time-reversal symmetry of photoemission and its inverse in small silicon clusters

Soh Ishii, Vijay Kumar, Yoshiyuki Kawazoe, Kaoru Ohno, Vijay Kumar

研究成果: Article査読

25 被引用数 (Scopus)

抄録

Absolute values of the quasiparticle energies of small silicon clusters (Sin, n=4,5,6) are determined quite accurately by means of the state-of-the-art ab initio calculations in the GW approximation, under the all-electron mixed-basis representation. We find that the electron affinity, which is very sensitive to the ionic valence and the cluster geometry, depends strongly on the photoemission process, and that the time-reversal symmetry is completely broken between the photemission and its inverse process. This is due to large structural changes in Si5- and Si6- as compared to the neutral clusters. When appropriate structural energy changes are taken into account, the time-reversal symmetry is satisfied and all results agree excellently with the preexisting experimental data.

本文言語English
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
68
19
DOI
出版ステータスPublished - 2003 11 15

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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