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This study presents a computational framework to investigate and predict the complicated multiphase properties of eco-friendly lead-free piezoelectric materials, which are crucial for sustainable technological progress. Although their…

Recently discovered fine structure of the morphotropic phase boundaries in highly piezoelectric mixture compounds PZT, PMN-PT, and PZN-PT demonstrates the importance of highly non-linear interactions in these systems. We show that an…

材料科学 · 物理学 2009-11-07 I. A. Sergienko , Yu. M. Gufan , S. Urazhdin

Thermoelastic phenomena associated with orientational phase transition in solid C60 are considered. Coupling of the order parameter with elastic strain is analyzed in the Landau theory of phase transitions. Wide range of possible…

凝聚态物理 · 物理学 2016-08-31 M. A. Fradkin

Ferroelectric ordering in liquids is a fundamental question of physics. Here, we show that ferroelectric ordering of the molecules causes formation of recently reported splay nematic liquid-crystalline phase. As shown by dielectric…

The notion of a simple ordered state implies homogeneity. If the order is established by a broken symmetry, elementary Landau theory of phase transitions shows that only one symmetry mode describes this state. Precisely at points of phase…

Since the first report of ferroelectricity in nanoscale HfO$_2$-based thin films in 2011, this silicon-compatible binary oxide has quickly garnered intense interest in academia and industry, and continues to do so. Despite its deceivingly…

材料科学 · 物理学 2024-08-27 Tianyuan Zhu , Liyang Ma , Shiqing Deng , Shi Liu

We explore the quantum phase transitions between two ordered states in the infinite dimensional Hubbard-Holstein model at half filling. Our study is based on the dynamical mean field theory (DMFT) combined with the numerical renormalization…

强关联电子 · 物理学 2010-07-29 Johannes Bauer , Alex C. Hewson

We present a first-principles study of model domain walls (DWs) in prototypic ferroelectric PbTiO3. At high temperature the DW structure is somewhat trivial, with atoms occupying high- symmetry positions. However, upon cooling the DW…

材料科学 · 物理学 2014-06-24 Jacek C. Wojdel , Jorge Iniguez

For the first time we proposed the model for the calculations of the relaxor ferroelectrics films properties in the framework of the random field theory. We took into account the misfit strain between film and substrate as well as surface…

材料科学 · 物理学 2007-05-23 E. A. Eliseev , M. D. Glinchuk

A thermodynamically consistent model for soft deformable viscoelastic magnets is formulated in actual space (Eulerian) coordinates. The possibility of a ferro-paramagnetic-type (or ferri-antiferromagnetic) transition exploiting Landau phase…

偏微分方程分析 · 数学 2023-02-07 Tomáš Roubíček

Ferroic materials are well known to exhibit heterogeneity in the form of domain walls. Understanding the properties of these boundaries is crucial for controlling functionality with external stimuli and for realizing their potential for…

We develop a Landau Ginzburg theory of the hidden order phase and the local moment antiferromagnetic phase of URu_2Si_2. We unify the two broken symmetries in a common complex order parameter and derive many experimentally relevant…

强关联电子 · 物理学 2015-05-13 Kristjan Haule , Gabriel Kotliar

It has been recently established by NMR techniques that in the high temperature cubic phase of BaTiO$_3$ the Ti ions are not confined to the high symmetry cubic sites, but rather occupy one of the eight off-center positions along the…

统计力学 · 物理学 2007-05-23 R. Pirc , R. Blinc

Raman spectroscopy is employed to probe directly the soft rotation and tilting modes, which are two primary order parameters predicted in the hybrid improper ferroelectric material Ca$_3$Mn$_2$O$_7$. We observe a giant softening of the…

强关联电子 · 物理学 2018-04-04 A. Glamazda , D. Wulferding , P. Lemmens , B. Gao , S. -W. Cheong , K. -Y. Choi

We investigate thermodynamic phases, including the phase of coexistence of superconductivity and ferromagnetism, the possible phase transitions of first and second order, and the shape of the phase diagram in mean-field approximation for a…

超导电性 · 物理学 2009-11-10 D. V. Shopova , D. I. Uzunov

For forty years researchers on ferroelectric switching have used the Kay-Dunn theory to model the thickness-dependence of the coercive field; it works surprisingly well, despite the fact that it is based upon homogeneous nucleation and a…

材料科学 · 物理学 2007-05-23 P. Chandra , M. Dawber , P. B. Littlewood , J. F. Scott

A stochastic model of electric field-driven polarization reversal in orthorhombic ferroelectrics is advanced, providing a description of their temporal electromechanical response. The theory accounts for all possible parallel and sequential…

Crystalline structures, zone-center phonon modes, and the related dielectric response of the three low-pressure phases of HfO2 have been investigated in density-functional theory using ultrasoft pseudopotentials and a plane-wave basis. The…

材料科学 · 物理学 2009-11-07 Xinyuan Zhao , David Vanderbilt

We have studied ab initio the phase transition in PbZrO3, a perovskite oxide usually presented as the prototypic anti-ferroelectric material. Our work reveals the crucial role that anti-ferrodistortive modes -- involving concerted rotations…

材料科学 · 物理学 2015-06-22 Jorge Iniguez , Massimiliano Stengel , Sergey Prosandeev , L. Bellaiche

The magnetoelectronic properties of quasi-one-dimensional zigzag graphene nanoribbons are investigated by using the Peierls tight-binding model. Quasi-Landau levels (QLLs), dispersionless Landau subbands within a certain region of k-space,…

介观与纳米尺度物理 · 物理学 2014-05-19 Hsien-Ching Chung , Po-Hua Yang , To-Sing Li , Ming-Fa Lin