Electronic structure and bond competition in the polar magnet PbVO3

被引：48

作者：

Singh, DJ ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.73.094102

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density functional electronic structure studies of tetragonal PbVO3 are reported. The results show an important role for both Pb 6p-O 2p and V d-O p bonding, with an interplay between these. This is discussed in relation to the possibility of obtaining magnetoelectric behavior.

引用

页数：5

共 25 条

[21]

SMOLENSKII GA, 1959, FIZ TVERD TELA, V1, P907

[22]

SMOLENSKY GA, 1959, FIZ TVERD TELA, V1, P150

[23] The renaissance of magnetoelectric multiferroics [J].

Spaldin, NA ;

Fiebig, M .

SCIENCE, 2005, 309 (5733) :391-392

[24] First-principles predictions of giant electric polarization [J].

Uratani, Y ;

Shishidou, T ;

Ishii, F ;

Oguchi, T .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2005, 44 (9B) :7130-7133

[25] Epitaxial BiFeO3 multiferroic thin film heterostructures [J].

Wang, J ;

Neaton, JB ;

Zheng, H ;

Nagarajan, V ;

Ogale, SB ;

Liu, B ;

Viehland, D ;

Vaithyanathan, V ;

Schlom, DG ;

Waghmare, UV ;

Spaldin, NA ;

Rabe, KM ;

Wuttig, M ;

Ramesh, R .

SCIENCE, 2003, 299 (5613) :1719-1722

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