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Metal-to-insulator phase transitions in complex oxide thin films are exciting phenomena which may be useful for device applications, but in many cases the physical mechanism responsible for the transition is not fully understood. Here we…

Using first-principles calculations, we estimated the impact of large applied electric E fields on the structural, dielectric, and ferroelectric properties of typical ferroelectrics. At large fields, the structural parameters change…

Materials Science · Physics 2016-05-25 Daniel I. Bilc , Liviu Zarbo , Sorina Garabagiu , Eric Bousquet , Liliana Mitoseriu

The development of electric vehicles has led to a growing need for more efficient and environmentally friendly batteries. As a result, there is significant interest in researching new materials and techniques to enhance battery efficiency.…

Materials Science · Physics 2024-09-24 Thiago Ferro , Adrielson Dias , Maria Clara , Luana Hildever , José Holanda

We report neutron scattering experiments probing the influence of uniaxial strain on both the magnetic and structural order parameters in the parent iron pnictide compound, BaFe$_2$As$_2$. Our data show that modest strain fields along the…

The balance between interfacial chemistry, electrostatics, and epitaxial strain plays a crucial role in stabilizing polarization in ferroelectric thin films. Here, we bring these contributions into competition in BiFeO$_3$ (BFO) thin films…

Materials Science · Physics 2026-01-27 Elzbieta Gradauskaite , Natascha Gray , Quintin N. Meier , Marta D. Rossell , Morgan Trassin

BiFeO$_3$ is a technologically relevant multiferroic perovskite featuring ferroelectricity and antiferromagnetism. Its lattice, magnetic, and ferroelectric degrees of freedoms are coupled to its optically active excitations and thus hold…

Materials Science · Physics 2024-10-17 Aseem Rajan Kshirsagar , Sven Reichardt

First-principles calculations of the epitaxial-strain phase diagram of perovskite SrCoO$_{3}$ are presented. Through combination of the large spin-phonon coupling with polarization-strain coupling and coupling of the band gap to the polar…

Materials Science · Physics 2012-09-10 Jun Hee Lee , Karin M. Rabe

The control of optical fields is usually achieved through the electro-optic or acousto-optic effect in single-crystal ferroelectric or polar compounds such as LiNbO3 or quartz. In recent years, tremendous progress has been made in…

Ferroelectric materials are a class of dielectrics that exhibit spontaneous polarization which can be reversed under an external electric field. The emergence of ferroelectric order in incipient ferroelectrics is a topic of considerable…

Materials Science · Physics 2025-10-31 Yu Zhu , Luigi Ranalli , Taikang Chen , Wei Ren , Cesare Franchini

An experimental study of the in-plane azimuthal behaviour and frequency dependence of the ferromagnetic resonance field and the resonance linewidth as a function of BiFeO$_3$ thickness is carried out in a polycrystalline exchange-biased…

Materials Science · Physics 2016-09-21 J. Ben Youssef , J. Richy , N. Beaulieu , T. Hauguel , D. T. Dekadjevi , J-Ph. Jay , D. Spenato , S. P. Pogossian

Due to its multiferroic properties and narrow optical bandgap, Bismuth ferrite has been widely explored for spintronics, photovoltaics, and photocatalysis applications. Bismuth ferrite can be synthesized in various forms like bulk, thin…

Materials Science · Physics 2025-09-10 Naresh Prajapati , G. Surya Prakash , Manoj Kumar , Himanshu Pandey

Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…

Materials Science · Physics 2016-05-04 Leigh Weston , Xiangyuan Cui , Simon P. Ringer , Catherine Stampfl

First-principles density functional calculations are performed to investigate the interplay between inplane strains and interface effects in 1by1 PbTiO3/SrTiO3 and BaTiO3/SrTiO3 superlattices of tetragonal symmetry. One particular emphasis…

Materials Science · Physics 2010-04-19 Yanpeng Yao , Huaxiang Fu

The morphotropic phase boundary (MPB) in the magnetoelectric multiferroic BiFeO3-PbTiO3 is shown to be uniquely dependent on crystallite size. The system exhibits the phenomenon of abnormal grain growth (AGG) during sintering with abrupt…

Materials Science · Physics 2015-07-21 Bastola Narayan , V. Kothai , Rajeev Ranjan

We report density functional theory (DFT) investigation of $B$-site doped CaFeO$_3$, a prototypical charge-ordered perovskite. At 290 K, CaFeO$_3$ undergoes a metal-insulator transition and a charge disproportionation reaction…

Materials Science · Physics 2016-08-15 Lai Jiang , Diomedes Saldana-Greco , Joseph T. Schick , Andrew M. Rappe

BiFeO3 is the most famous multiferroic material, but its G-type antiferromagnetism is highly desirable to be replaced by strong macroscopic magnetism beyond room temperature. Here we obtain double perovskite Bi2FeMoO6 with R3 (#146) space…

Materials Science · Physics 2014-10-20 Peng Chen , Bang-Gui Liu

Effect of an internal chemical pressure on structural, optical, magnetic and electrical properties in Bi0.9RE0.1FeO3 Ceramics (RE =Gd3+,Tb3+,Dy3+)has been studied extensively. Some of the highlights are as follows; 1. Coexistence of…

Materials Science · Physics 2012-06-26 T. Karthik , T. Durga Rao , A. Srinivas , Saket Asthana

We put forward the concept of a bulk Rashba effect emerging in a multiferroic material, such as an antiferromagnetic system with a polar crystal structure. According to symmetry considerations, while time-reversal and space-inversion…

Strongly Correlated Electrons · Physics 2019-12-18 Kunihiko Yamauchi , Paolo Barone , Silvia Picozzi

We investigated the metal-insulator transition for epitaxial thin films of the perovskite CaFeO3, a material with a significant oxygen ligand hole contribution to its electronic structure. We find that biaxial tensile and compressive strain…

We report the effect of epitaxial strain on the magnitude and retention of the ferroelectric field effect in high quality PbZr$_{0.3}$Ti$_{0.7}$O$_3$ (PZT)/3.8-4.3 nm Sm$_{0.5}$Nd$_{0.5}$NiO$_3$ (SNNO) heterostructures grown on (001)…

Strongly Correlated Electrons · Physics 2015-10-28 L. Zhang , X. G. Chen , H. J. Gardner , M. A. Koten , J. E. Shield , X. Hong
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