FERROELECTRICITY IN PEROVSKITE-LIKE NACAF3 PREDICTED ABINITIO

被引：37

作者：

EDWARDSON, PJ

BOYER, LL

NEWMAN, RL

FOX, DH

HARDY, JR

FLOCKEN, JW

GUENTHER, RA

MEI, W

机构：

[1] UNIV NEBRASKA,LINCOLN,NE 68588

[2] UNIV NEBRASKA,OMAHA,NE 68182

来源：

PHYSICAL REVIEW B | 1989年 / 39卷 / 13期

关键词：

D O I：

10.1103/PhysRevB.39.9738

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：9738 / 9741

页数：4

共 12 条

[1] PARAMETER-FREE EQUATION-OF-STATE CALCULATIONS FOR CSCAF3 [J].

BOYER, LL .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1984, 17 (11) :1825-1832

[2] THEORETICAL-STUDY OF THE STRUCTURAL PHASE-TRANSITION IN RBCAF3 [J].

BOYER, LL ;

HARDY, JR .

PHYSICAL REVIEW B, 1981, 24 (05) :2577-2591

[3] MOLECULAR-DYNAMICS OF CLUSTERS OF PARTICLES INTERACTING WITH PAIRWISE FORCES USING A MASSIVELY PARALLEL COMPUTER [J].

BOYER, LL ;

PAWLEY, GS .

JOURNAL OF COMPUTATIONAL PHYSICS, 1988, 78 (02) :405-423

[4]

BULOU A, 1980, FERROELECTRICS, V24, P375

[5] A-PRIORI PREDICTIONS OF PHASE-TRANSITIONS IN KCAF3 AND RBCAF3 - EXISTENCE OF A NEW GROUND-STATE [J].

FLOCKEN, JW ;

GUENTHER, RA ;

HARDY, JR ;

BOYER, LL .

PHYSICAL REVIEW LETTERS, 1986, 56 (16) :1738-1741

[6] 1ST-PRINCIPLES STUDY OF STRUCTURAL INSTABILITIES IN HALIDE-BASED PEROVSKITES - COMPETITION BETWEEN FERROELECTRICITY AND FERROELASTICITY [J].

FLOCKEN, JW ;

GUENTHER, RA ;

HARDY, JR ;

BOYER, LL .

PHYSICAL REVIEW B, 1985, 31 (11) :7252-7260

[7] THEORY FOR FORCES BETWEEN CLOSED-SHELL ATOMS AND MOLECULES [J].

GORDON, RG ;

KIM, YS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :3122-&

[8] REACTIONS BETWEEN METAL OXIDES AND FLUORIDES - SOME NEW DOUBLE-FLUORIDE STRUCTURES OF TYPE ABF3 [J].

LUDEKENS, WLW ;

WELCH, AJE .

ACTA CRYSTALLOGRAPHICA, 1952, 5 (06) :841-841

[9] A NOTE ON STRUCTURE OF LITHIUM NIOBATE LINBO3 [J].

MEGAW, HD .

ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :583-&

[10] CRYSTAL-STRUCTURE AND PAIR POTENTIALS - A MOLECULAR-DYNAMICS STUDY [J].

PARRINELLO, M ;

RAHMAN, A .

PHYSICAL REVIEW LETTERS, 1980, 45 (14) :1196-1199

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