結晶構造とナノスケールのBaTiO3のパラ電気から鉄電気への相変化
Millicent B Smith1, Katharine Page, Theo Siegrist
1Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
Journal of the American Chemical Society
|May 9, 2008
まとめ
ナノ結晶バリウムチタネート (BaTiO3) は,26nmまで電鉄性能を保持しています. しかし,より小さな粒子は,分散した相移行を示し,歪み相合性が低下していることを示します.
科学分野:
- マテリアルサイエンス 材料科学
- 固体物理 固体物理学
- ナノテクノロジー ナノテクノロジー
背景:
- バリウムチタナート (BaTiO3) は,電子工学における応用を持つ重要な鉄電気材料です.
- BaTiO3のサイズに依存する性質を理解することは,先進ナノマテリアルの開発に不可欠です.
- BaTiO3におけるパラ電気から鉄電気への相転換は,構造の変化に敏感である.
研究 の 目的:
- 異なるサイズのナノ結晶のBaTiO3におけるパラ電気から鉄電気への相変化を調査する.
- 異なるサイズのBaTiO3粒子の室温構造を解明する.
- 粒子の大きさの影響が相変化の行動や構造的歪みに及ぼす影響を判断する.
主な方法:
- 温度に依存するラーマン光譜法.
- 粉末X線微分法 (XRD).粉末X線微分法.粉末X線微分法.粉末X線微分法.
- シンクロトロンX線散射,リートヴェルド精細化とペア分布関数 (PDF) 解析を含む.
主要な成果:
- 鉄電四角形相は,最小のBaTiO3粒子 (26 nm) にさえも観測される.
- 小粒子の気温では,相変遷は散らばり,散らばったBaTiO3.3の急変異とは異なり,相変遷は散らばります.
- 構造的歪みは粒子の大きさが減少するにつれて増加し,平均立方体の構造への傾向が伴います.
結論:
- BaTiO3の構造的歪みは,異なる粒子のサイズで強固である.
- 構造的歪みの一貫性は,より小さなナノ結晶粒子において著しく低下する.
- これらの発見は,特定のアプリケーションのためにBaTiO3ベースのナノマテリアルの特性を調整するために重要である.
関連する概念動画
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal Field Theory - Octahedral Complexes
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Ionic Crystal Structures
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Valence Bond Theory
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Imperfections in Crystal Structure: Stoichiometric Point Defects
Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
Structures of Solids
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...


