LATTICE ENERGY CALCULATIONS FOR ORDERED AND DISORDERED BA(ZN1/3TA2/3)O3

被引：19

作者：

SAGALA, DA

NAMBU, S

机构：

[1] Central Research Laboratory, Kyocera Corporation, Kagoshima 899-43, 1-4 Yamashita-cho, Kokubu

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1992年 / 61卷 / 05期

关键词：

BA(ZN1/3TA2/3)O3; ORDERED; DISORDERED; LATTICE ENERGY; LOCAL FIELD; THEORY;

D O I：

10.1143/JPSJ.61.1791

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Lattice energies were calculated for ordered and disordered Ba(Zn1/3Ta2/3)O3. Lattice summations were carried out for both long-range electrostatic and short-range Born-Mayer type interaction energies by using the rigid ion model. Electronic polarizations were taken into account to calculate the energy contribution from deformable charges of oxygen and barium ions as a strong local field exists in the ordered structure. The interaction energy and the internal energy of dipole moments induced by local field were determined. It was shown that the lattice energy of the ordered structure is 2.15 eV lower than that of the disordered structure. this result is consistent with the reported experimental results which demonstrated the stability of the ordered structure for Ba(Zn1/3Ta2/3)O3.

引用

页码：1791 / 1797

页数：7

共 14 条

[1]

BROWN WF, 1956, HDB PHYSIK, V17, P80

[2] ELASTIC AND DIELECTRIC PROPERTIES OF CRYSTALS WITH POLARIZABLE ATOMS [J].

COWLEY, RA .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1962, 268 (1332) :121-&

[3] MICROWAVE LOSS QUALITY OF BAZN1/3TA2/3O3 CERAMICS [J].

DESU, SB ;

OBRYAN, HM .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1985, 68 (10) :546-551

[4]

Galasso F. S., 1970, STRUCTURE PROPERTIES

[5] ELECTROSTATIC ENERGY OF CUBIC SPINEL STRUCTURES [J].

HERMANS, L ;

WEENK, J ;

VANGOOL, W .

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1974, 88 (1-4) :15-22

[6] POWDER NEUTRON AND X-RAY-DIFFRACTION DETERMINATION OF STRUCTURE OF BA-3TA-2ZNO-9 - INVESTIGATION OF PEROVSKITE PHASES IN SYSTEM BA-TA-ZN-O AND PREPARATION OF BA-2TACDO-5.5 AND BA-2CEINO-5.5 [J].

JACOBSON, AJ ;

COLLINS, BM ;

FENDER, BEF .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1976, 32 (APR15) :1083-1087

[7] BA(ZN1/3TA2/3)O-3 CERAMICS WITH LOW DIELECTRIC LOSS AT MICROWAVE-FREQUENCIES [J].

KAWASHIMA, S ;

NISHIDA, M ;

UEDA, I ;

OUCHI, H .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1983, 66 (06) :421-423

[8]

Kittel C, 1976, INTRO SOLID STATE PH, P411

[9] POTENTIAL MODELS FOR IONIC OXIDES [J].

LEWIS, GV ;

CATLOW, CRA .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1985, 18 (06) :1149-1161

[10]

Ludwig W., 1982, PHONONS THEORY EXPT, V34

← 1 2 →