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Unusual Metallic Multiferroic Transitions in Electron‐Doped PbTiO3
Advanced Electronic Materials ( IF 5.3 ) Pub Date : 2017-07-03 , DOI: 10.1002/aelm.201700134 Takahiro Shimada 1 , Tao Xu 1 , Yasumitsu Araki 1 , Jie Wang 2 , Takayuki Kitamura 1
Advanced Electronic Materials ( IF 5.3 ) Pub Date : 2017-07-03 , DOI: 10.1002/aelm.201700134 Takahiro Shimada 1 , Tao Xu 1 , Yasumitsu Araki 1 , Jie Wang 2 , Takayuki Kitamura 1
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The coexistence of some materials which are normally in mutually exclusive states is attracting considerable attention as an intriguing means of obtaining nontrivial physical phenomena and unconventional multifunctional substances. Although single‐phase materials endowed with integrated ferroelectric, magnetic, and optical multifunctions hold promise for new technological paradigms, the mutually exclusive mechanisms within ferroelectricity, conductivity, and magnetism hinder the discovery of conducting multiferroics. Here, a new path toward metallic multiferroics is provided by theoretically demonstrating the possible compatible nature of ferroelectric distortion, free carriers, and magnetism in electron‐doped PbTiO3 using the hybrid Hartree–Fock density functional theories. Doping with electrons is found to induce metallic conductivity that coexists with and even enhances the ferroelectric distortion in PbTiO3, due to the unique lone‐pair ferroelectricity in this material. The injected excess electrons, in spin‐polarized states, interact with one another in the plane perpendicular to the polar direction, resulting in layer‐arranged ferromagnetism and multiferroics with nonlinear magnetoelectric coupling. These results indicate a means of circumventing conventional restrictions, leading to new types of multifunctional materials in which unusual multiferroic and conductive characteristics are simultaneously present.
中文翻译：
电子掺杂的PbTiO3中异常的金属多铁性跃迁
某些通常处于互斥状态的材料的共存作为获得非平凡的物理现象和非常规的多功能物质的一种吸引人的手段正引起人们的极大关注。尽管具有集成铁电，磁和光多功能功能的单相材料有望为新技术范式带来希望，但铁电，电导率和磁性内的互斥机制阻碍了导电多铁的发现。在这里，通过理论上证明掺杂电子的PbTiO 3中铁电畸变，自由载流子和磁性的可能相容性，提供了一条通往金属多铁的新途径。使用混合Hartree-Fock密度泛函理论。由于该材料独特的孤对铁电性，发现掺杂电子会诱导与PbTiO 3共存甚至增强的铁电畸变的金属电导率。注入的自旋极化态的过量电子在垂直于极性方向的平面内相互影响，从而形成层排列的铁磁性和具有非线性磁电耦合的多铁磁性。这些结果表明了一种规避常规限制的方法，从而导致了新型多功能材料，其中同时存在异常的多铁性和导电特性。
更新日期：2017-07-03
中文翻译：
电子掺杂的PbTiO3中异常的金属多铁性跃迁
某些通常处于互斥状态的材料的共存作为获得非平凡的物理现象和非常规的多功能物质的一种吸引人的手段正引起人们的极大关注。尽管具有集成铁电，磁和光多功能功能的单相材料有望为新技术范式带来希望，但铁电，电导率和磁性内的互斥机制阻碍了导电多铁的发现。在这里，通过理论上证明掺杂电子的PbTiO 3中铁电畸变，自由载流子和磁性的可能相容性，提供了一条通往金属多铁的新途径。使用混合Hartree-Fock密度泛函理论。由于该材料独特的孤对铁电性，发现掺杂电子会诱导与PbTiO 3共存甚至增强的铁电畸变的金属电导率。注入的自旋极化态的过量电子在垂直于极性方向的平面内相互影响，从而形成层排列的铁磁性和具有非线性磁电耦合的多铁磁性。这些结果表明了一种规避常规限制的方法，从而导致了新型多功能材料，其中同时存在异常的多铁性和导电特性。
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