The Photo-Induced Structural Change in a Se Chain and a Se_8 Ring:an ab initio Molecular-Dynamics Simulation

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概要

• 論文の詳細を見る

• Tlae strtrcttrr?tl cl?ange ita 21 Se chaita arad a Seg r'ing dtre to tl?e excitaxtiora of' 2111 electron ita tlaeHOINIO (l?igltest occtrjcied taaolectrlar or'bital) to tlae LUIN'IO (lowest vrn?occtrpied taaolecular orbit;'tl)is inx'estigated Icy 2111 ab initio taaolectt1?rr-dy'n?tttaics siuaatrlation to clarify tlae possibility of' botadbreaking. It is shoxvna, f'rorau tlte c?rlctrl?tted tiuaae dependenace of' tire borrd Ienagtlus, flue etaergyeigeu'xxva[tres ?ttad the xvavef'trtactions, tlaat there occtrrs a p[?oto-indtrced bonad loreatkittg in botlxcases ttnd tlaat sucla a lootad 1.crealcing is closely related to the stabi1izatior? of' tlae arati-bondingLUR'IO state. This pltoto-indtrced bor?d breakirag ll12LN7 Ire cortsidered 218 2111 eletaaent;al jcrocess ['ortlae recently observed plroto-iradtrced seraaicondtrctor'-raaetal tratasition in liqtrid Se taear tlne triplejcoint. Tlae restrlts for Seg ring are also couaapared xvitla otrr previotrs resttlts f'or 88 ring.

• 社団法人日本物理学会の論文
• 1999-06-15

著者

• Hoshino Kozo

  Faculty Of Integrated Arts And Sciences Hiroshima University

• Shimojo Fuyuki

  Faculty of Integrated Arts and Sciences, Hiroshima University

• Hoshino Kozo

  Faculty Of Engineering Niigata University

• Nishida Toshio

  Department Of Materials Science Faculty Of Science Hiroshima University

• Shimojo Fuyuki

  Faculty Of Entegrated Arts And Sciences Hiroshima University

• Nishida T

  Faculty Of Entegrated Arts And Sciences Hiroshima University

• NISHIDA Taiji

  Faculty of Entegrated Arts and Sciences,Hiroshima University

• Hoshino Kozo

  Faculty of Integrated Arts and Sciences,Hiroshima University

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