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As the first well-documented example of the ferroelectric metal, LiOsO3 has received extensive research attention recently. Using density-functional calculations, we perform a systematic study for LiOsO3. We address the controversy about…

材料科学 · 物理学 2015-06-22 H. M. Liu , Y. P. Du , Y. L. Xie , J. -M. Liu , Chun-Gang Duan , Xiangang Wan

Bulk LiOsO3 was experimentally identified as a "ferroelectric" metal where polar distortions coexist with metallicity [Shi et al., Nature Materials 12, 1024 (2013)]. It is generally believed that polar displacements in a "ferroelectric"…

计算物理 · 物理学 2019-06-12 Jinlian Lu , Gong Chen , Wei Luo , Jorge Íñiguez , Laurent Bellaiche , Hongjun Xiang

We examine the electronic properties of newly discovered "ferroelectric" metal LiOsO$_3$ combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic…

材料科学 · 物理学 2015-08-26 Danilo Puggioni , Gianluca Giovannetti , Massimo Capone , James M. Rondinelli

LiOsO$_3$ is the first experimentally confirmed polar metal with ferroelectric-like distortion. One puzzling experimental fact is its paramagnetic state down to very low temperature with negligible magnetic moment, which is anomalous…

材料科学 · 物理学 2018-11-20 Y. Zhang , J. J. Gong , C. F. Li , L. Lin , Z. B. Yan , Shuai Dong , J. -M. Liu

Metals cannot exhibit ferroelectricity because static internal electric fields are screened by conduction electrons, but in 1965, Anderson and Blount predicted the possibility of a ferroelectric metal, in which a ferroelectric-like…

Since conduction electrons of a metal screen effectively the local electric dipole moments, it was widely believed that the ferroelectric-like distortion cannot occur in metals. Recently, metallic LiOsO3, was discovered to be the first…

材料科学 · 物理学 2014-10-01 Hongjun Xiang

LiOsO$_3$ is the first example of a new class of material called a ferroelectric metal. We performed zero-field and longitudinal-field $\mu$SR, along with a combination of electronic structure and dipole field calculations, to determine the…

Using density functional theory we investigate the lattice instability and electronic structure of recently discovered ferroelectric metal LiOsO$_3$. We show that the ferroelectric-like lattice instability is related to the Li-O distortion…

材料科学 · 物理学 2015-03-19 Gianluca Giovannetti , Massimo Capone

Ferroelectric-like metals are a relatively rare class of materials that have ferroelectric-like distortion and metallic conductivity. LiOsO$_3$ is the first demonstrated and the most investigated ferroelectric-like metal. The presence of…

材料科学 · 物理学 2020-08-05 Rui-Chun Xiao , Ding-Fu Shao , Wenjuan Huang , Hua Jiang

The electronic and structural properties of Li$B$O$_3$ ($B$=V, Nb, Ta, Os) are investigated via first-principles methods. We show that Li$B$O$_3$ belong to the recently proposed hyperferroelectrics, i.e., they all have unstable longitudinal…

材料科学 · 物理学 2016-10-20 Pengfei Li , Xinguo Ren , Guang-Can Guo , Lixin He

The possibility of reconciliation between seemingly mutually exclusive properties in one system can not only lead to theoretical breakthroughs but also potential novel applications. The research on the coexistence of two purportedly…

材料科学 · 物理学 2020-07-23 W. X. Zhou , A. Ariando

Over 50 years ago, Anderson and Blount proposed that ferroelectric-like structural phase transitions may occur in metals, despite the expected screening of the Coulomb interactions that often drive polar transitions. Recently, theoretical…

强关联电子 · 物理学 2019-07-25 N. J. Laurita , A. Ron , J. Shan , D. Puggioni , N. Z. Koocher , K. Yamaura , Y. Shi , J. M. Rondinelli , D. Hsieh

Although rare, spontaneous breakdown of inversion symmetry sometimes occurs in a material which is metallic: these are commonly known as polar metals or ferroelectric metals. Their 'polarization', however, cannot be switched via an electric…

材料科学 · 物理学 2021-03-31 Asier Zabalo , Massimiliano Stengel

LiOsO3 is one of the first materials identified in a recent literature as a 'polar metal', a class of materials that are simultaneously noncentrosymmetric and metallic. In this work, the linear and nonlinear optical susceptibility of LiOsO3…

LiOsO3 is the first experimentally confirmed polar metal. Previous works suggested that the ground state of LiOsO$_3$ is just close to the critical point of metal-insulator transition. In this work the electronic state of LiOsO$_3$ is tuned…

材料科学 · 物理学 2019-11-11 Y. Zhang , J. J. Gong , C. F. Li , L. Lin , Z. B. Yan , Shuai Dong , J. -M. Liu

The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…

材料科学 · 物理学 2016-02-29 Nicole A. Benedek , Turan Birol

The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is…

材料科学 · 物理学 2015-06-17 Hyunsu Sim , Bog G. Kim

Metallic LiOsO$_3$ undergoes a continuous ferroelectric-like structural phase transition below $T_c$ = 140 K to realize a polar metal. To understand the microscopic interactions that drive this transition, we study its critical behavior…

Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication (Phys. Rev. B 95, 245121(2017)) on…

La doped SrFeO$_{3}$, La$_{1/3}$Sr$_{2/3}$FeO$_{3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic and charge ordering states along with the Fe-O bond disproportionation below a critical temperature near…

强关联电子 · 物理学 2025-06-25 Nam Nguyen , Alex Taekyung Lee , Vijay Singh , Anh T. Ngo , Hyowon Park
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