EXISTENCE OF A WELL DEFINED SPECIFIC ENERGY FOR AN IONIC CRYSTAL - JUSTIFICATION OF EWALDS FORMULAE AND OF THEIR USE TO DEDUCE EQUATIONS FOR MULTIPOLE LATTICES
EXISTENCE OF A WELL DEFINED SPECIFIC ENERGY FOR AN IONIC CRYSTAL - JUSTIFICATION OF EWALDS FORMULAE AND OF THEIR USE TO DEDUCE EQUATIONS FOR MULTIPOLE LATTICES
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DOI：
10.1016/0022-3697(63)90123-9
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发表时间：
1963-01-01
影响因子：
4
通讯作者：
CAMPBELL, ES
中科院分区：
文献类型：
--
作者：
CAMPBELL, ES
本文证明了在简单的一般条件下，由离子晶格定义的势能的Ewald（1）计算是合理的，这些条件是为离子晶体存在“定义明确的”比能而给出的。Ewald计算和这些条件的意义是澄清了先前的讨论之间的连接有限和无限晶格的特定能量。本文指出，证明从Ewald方程推导多极格点公式的原论据（2）含有逻辑错误，从而导致对偶极子格点所定义的势的误导性陈述。给出并证明了这些公式的有效性条件。这些公式的优点进行了讨论。
TheEwald(1)calculation of the potential denned by an ionic lattice is shown to be justified under simple general conditions which are given for the existence of a “well-defined” specific energy for an ionic crystal. The significance of the Ewald calculation and of these conditions is clarified by a prior discussion of the connection between the specific energy for finite and infinite lattices. It is shown that the original argument given(2)to justify the deduction of formulae for multipole lattices from Ewald's equations contains a logical error which led to misleading statements about the potential defined by a lattice of dipoles. Conditions for the validity of these formulae are given and proved. Advantages of these formulae are discussed.