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钙钛矿型晶体A(B_(1/3)~1B_(2/3)~2)O_3中的有序-无序相变 被引量:4

A STUDY ON THE ORDER-DISORDER TRANSITION IN A^(+2)(B_(1/3)~1B_(2/3)~2)O_3 PEROVSKITES
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摘要 本文利用原子集团变分方法,讨论了A^(+2)(B_(1/3)^(+2)B_(2/3)^(+5))O_3系统中有序-无序相变,指出在此系统中相互作用能参数对形成(B_(2/3)^(+2)B_(1/3)^(+5))_(1/2):B_(1/2)^(+5)=1:1的混合型有序畴和B_(1/3)^(+2):B_(2/3)^(+5)=1:1的完全有序畴起着重要作用。形成B_(1/3)^(+2):B_(2/3)^(+5)=1:2的完全有序畴比较困难,而(B_(2/3)^(+2)B_(1/3)^(+5)):B_(1/2)^(+5)=1:1混合型有序畴的形成相对来说较容易。 By use of cluster variation method, a study of orderdisorder transition in A+2(B_(1/3)~1B_(2/3)~2)O_3 system was carried out. Theoretical calculation indicated that the interaction energy parameter J had a great influnce on formation of both, the (B_(2/3)~1B_(1/3)~2)_(1/2) :B_(1/2)~2 =1:1 mixed ordered domain and B_(1/3)~1:B_(2/3)~2= 1:2 domain, and predicted that it was more difficult to form the B_(1/3)~1:B_(2/3)~2= 1:2 full ordered domain relatively to the (B_(2/3)~1B_(1/3)~2)_(1/2) = 1:1 mixed ordered domain.
出处 《物理学报》 SCIE EI CAS CSCD 北大核心 1990年第2期325-334,共10页 Acta Physica Sinica
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