EXTERNAL FIELDS IN THE SELF-CONSISTENT THEORY OF ELECTRONIC STATES - A NEW METHOD FOR DIRECT EVALUATION OF MACROSCOPIC AND MICROSCOPIC DIELECTRIC RESPONSE
EXTERNAL FIELDS IN THE SELF-CONSISTENT THEORY OF ELECTRONIC STATES - A NEW METHOD FOR DIRECT EVALUATION OF MACROSCOPIC AND MICROSCOPIC DIELECTRIC RESPONSE
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DOI：
10.1103/physrevlett.51.686
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发表时间：
1983-01-01
影响因子：
8.6
通讯作者：
RESTA, R
中科院分区：
文献类型：
--
作者：
KUNC, K;RESTA, R
它表明，宏观和微观介电常数电场的响应可以直接处理的方法，这是一般的，替代线性响应理论，并不限于线性效应。该理论的基本特征进行了讨论;明确计算的宏观介电常数，微观局部场，和横向有效电荷内的局域密度泛函理论的Ge和GaAs。
It is shown that the macroscopic and microscopic dielectric responses to a constant electric field can be directly dealt with by a method which is general, alternative to linear-response theory, and not restricted to linear effects. The basic features of the theory are discussed; explicit calculations of the macroscopic dielectric constant, miccroscopic local fields, and transverse effective charges are presented for Ge and GaAs within the local-density functional theory.