THEORY OF THE ELECTRIC POLARIZATION IN CRYSTALS

被引:329
作者
RESTA, R
机构
[1] Scuola Internazionale Superiore di Studî, Avanzati SISSA, 1-34014 Trieste
关键词
FERROELECTRICITY; SPONTANEOUS POLARIZATION; INDUCED POLARIZATION; SUSCEPTIBILITY; EFFECTIVE CHARGES; PIEZOELECTRICITY;
D O I
10.1080/00150199208016065
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Contrary to common textbook statements, the macroscopic electric polarization of a crystal cannot be unambiguously defined as the dipole of a unit cell. The only measurable quantities are either derivatives of the polarization (dielectric susceptibility, Born effective charges, piezoelectricity, pyroelectricity) or finite differences (ferroelectricity). The differential concept is a basic one in theoretical work too. I sketch here the basic theory and the state of the art in its implementation to real materials, both for induced and spontaneous polarization; for the latter case, I also propose a novel approach.
引用
收藏
页码:51 / 55
页数:5
相关论文
共 20 条
[1]  
Baldereschi A., 1983, Ab Initio Calculation of Phonon Spectra. Proceedings of the CECAM (Centre d'Etudes de Calcul Atomique et Moleculaire) Workshop, P1
[2]   GREEN-FUNCTION APPROACH TO LINEAR RESPONSE IN SOLIDS [J].
BARONI, S ;
GIANNOZZI, P ;
TESTA, A .
PHYSICAL REVIEW LETTERS, 1987, 58 (18) :1861-1864
[3]   ABINITIO CALCULATION OF THE MACROSCOPIC DIELECTRIC-CONSTANT IN SILICON [J].
BARONI, S ;
RESTA, R .
PHYSICAL REVIEW B, 1986, 33 (10) :7017-7021
[4]   PIEZOELECTRIC PROPERTIES OF III-V SEMICONDUCTORS FROM 1ST-PRINCIPLES LINEAR-RESPONSE THEORY [J].
DE GIRONCOLI, S ;
BARONI, S ;
RESTA, R .
PHYSICAL REVIEW LETTERS, 1989, 62 (24) :2853-2856
[5]   PIEZOELECTRICITY IN III-V-SEMICONDUCTORS AND II-VI-SEMICONDUCTORS - A SYSTEMATIC ABINITIO CALCULATION [J].
DEGIRONCOLI, S ;
BARONI, S ;
RESTA, R .
FERROELECTRICS, 1990, 111 :19-22
[6]   ABINITIO CALCULATION OF PHONON DISPERSIONS IN SEMICONDUCTORS [J].
GIANNOZZI, P ;
DE GIRONCOLI, S ;
PAVONE, P ;
BARONI, S .
PHYSICAL REVIEW B, 1991, 43 (09) :7231-7242
[7]   ABINITIO STATIC DIELECTRIC MATRICES FROM THE DENSITY-FUNCTIONAL APPROACH .2. CALCULATION OF THE SCREENING RESPONSE IN DIAMOND, SI, GE, AND LICL [J].
HYBERTSEN, MS ;
LOUIE, SG .
PHYSICAL REVIEW B, 1987, 35 (11) :5602-5610
[8]   ABINITIO STATIC DIELECTRIC MATRICES FROM THE DENSITY-FUNCTIONAL APPROACH .1. FORMULATION AND APPLICATION TO SEMICONDUCTORS AND INSULATORS [J].
HYBERTSEN, MS ;
LOUIE, SG .
PHYSICAL REVIEW B, 1987, 35 (11) :5585-5601
[9]  
Landau L. D., 1984, ELECTRODYNAMICS CONT, V2nd
[10]   INTRODUCTION TO FERROELECTRIC SURFACES [J].
LANDAUER, R .
FERROELECTRICS, 1987, 73 (1-2) :41-42