Electronic structure and phase transition effects in some ABO3 materials

被引：0

作者：

Karadag, F ^{[1
]}

Mamedov, AM

Kurt, MZ

Yilmaz, S

机构：

[1] Cukurova Univ, Dept Phys, Ankara, Turkey

[2] Harran Univ, Dept Phys, Harran, Turkey

来源：

FERROELECTRICS | 2002年 / 270卷

关键词：

ferroelectrics; electronic structure; X-alpha method;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this work a new theoretical study is undertaken of the electronic structure of ABO(3) materials and role of the BO6 octahedron containing Ti, Nb, and Ta in paraelectric and ferroelectric phases. The results of this work show that, cluster calculations by the X-alpha method (in ferroelectric and paraelectric phases) even for a minimum cluster can describe the nonlocal electronic properties of ABO(3) and can be used in discussions of the physical properties of these compounds.

引用

页码：1495 / 1500

页数：6

共 12 条

[1]

HARADA J, 1970, ACTA CRYSTALLOGR A, V26, P396

[2]

Harrison W.A., 1980, Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond

[3]

Herman F., 1963, ATOMIC STRUCTURE CAL

[4]

JOHNSON KH, 1972, J QUANTUM CHEM, V65, P243

[5]

JOHNSON KH, 1973, ADV QUANTUM CHEM, V7, P143

[6]

Lines M. E., 1979, PRINCIPLES APPL FERR

[7]

Mamedov A. M., 1984, Soviet Physics - Solid State, V26, P352

[8] OPTICAL-PROPERTIES (VUV REGION) AND BAND-STRUCTURE OF FERROELECTRICS AND RELATED MATERIALS [J].

MAMEDOV, AM .

FERROELECTRICS, 1982, 45 (1-2) :55-61

[9] VACUUM ULTRAVIOLET (VUV) REFLECTIVITY AND ELECTRON-STATES IN LINBO3 [J].

MAMEDOV, AM ;

HAJIYEVA, LS ;

IBRAGIMOVA, IS ;

ALIYEVA, BS .

PHYSICA B & C, 1985, 128 (01) :61-68

[10]

MAMEDOV AM, 1982, SOV PHYS JETP, V56, P1043

← 1 2 →