First-Principles Study on the Multiplet Structures of CuO_5 Pyramid in Bi_2Sr_2CaCu_2O_8+δ

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概要

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• In this paper we inxzestigate tlae multiplet strtucttrre of' a single Cubs pyrata?id etnbedded ituBizSr3CaCtrz0g?,5 (Bi2212) for ata it'ustrlatting pluase of 75 :: 0 and a sujcercotadvxctirag phase of 6 = Owitlu T. : 85 K. In tluis sttrdy, we trse tl'ne uaattlti-configtrration self'-cotasisterat field variationalnaethod xvith configtrratiorx ir'uteractiot'x to calcvrlate the lowest states of the Zlaang-Rice spinsinglet ('At) and Htmrad's coupling spiua-triplet ('Bt) as stccurarte 218 j.cossil.>Ie. In 1;lae case of ff= Owe finad tlaat tlae 'AU state is the loxvest. It is lower tla?rn the 'Bl state by 2.15 eV, Oua the otherhand, in the case of' (5 : 0.25 we firad that the 'Al and tlae 'Bl rntrltiplets are very close inenergy, and naixed easily by transfer inter?tction betxveen cltrsters. In the C21,S(116 of' IS = 0.25 weshow that a colaerent state for a dopatnt l?ole is cortaposed in strch a xvay that the 'Al and'the'Bj v'nultiplets appear alternately wluera tlae localized sjcin f'or'un local auatif'errouaaagnetic orderingin a x'egion of the spin-correlatiora letagtl?.

• 社団法人日本物理学会の論文
• 1999-08-15

著者

• Tobita Yoshikata

  Institute Of Physics Graduate School Of Science Scince University Of Tokyo

• Kamimura Hiroshi

  Institute Of Physics Graduate School Of Science Science University Of Tokyo

関連論文

• New Mechanism of Ionic Conductivity in Hydrogen-Bonded Crystals M_3H_(XO_4)_2[M=Rb,Cs,X=S,Se]
• First-Principles Study on the Multiplet Structures of CuO_5 Pyramid in Bi_2Sr_2CaCu_2O_8+δ
• Computational Study on the Ground State of a Dopant Hole in a Two-Dimensional Quantum Spin System

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