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Ionic crystals terminated at oppositely charged polar surfaces are inherently unstable and expected to undergo surface reconstructions to maintain electrostatic stability. Essentially, an electric field that arises between oppositely…

Small polaron formation in transition metal oxides, like the prototypical material rutile TiO$_2$, remains a puzzle and a challenge to simple theoretical treatment. In our combined experimental and theoretical study, we examine this problem…

Materials Science · Physics 2017-12-06 Grigory Kolesov , Boris A. Kolesov , Efthimios Kaxiras

In conventional ferroelectric materials, polarization is an intrinsic property limited by bulk crystallographic structure and symmetry. Recently, it has been demonstrated that polar order can also be accessed using inherently non-polar van…

Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…

Novel phenomena appear when two different oxide materials are combined together to form an interface. For example, at the interface of LaAlO3/SrTiO3, two dimensional conductive states form to avoid the polar discontinuity and magnetic…

Materials Science · Physics 2017-02-23 Fang Wang , Zhaohui Ren , He Tian , Shengyuan A. Yang , Yanwu Xie , Yunhao Lu , Jianzhong Jiang , Gaorong Han , Kesong Yang

Intrinsic polar metals are rare, especially in oxides, because free electrons screen electric fields in a metal and eliminate the internal dipoles that are needed to break inversion symmetry. Here we use first-principles high-throughput…

Materials Science · Physics 2020-02-06 Yue-Wen Fang , Hanghui Chen

Electric field modulation analysis of thermopower (S) - carrier concentration (n) relation of a bilayer laminate structure composed of a 1.5-nm thick conducting layer, probably TinO2n-1 (n=2, 3,...) Magn\'eli phase, and rutile TiO2 was…

We investigate the physical mechanisms for achieving an electrical control of conventional spin-singlet superconductivity in thin films by focusing on the role of surface orbital polarization. Assuming a multi-orbital description of the…

Superconductivity · Physics 2020-09-18 Maria Teresa Mercaldo , Paolo Solinas , Francesco Giazotto , Mario Cuoco

For spintronics applications, it is highly desirable to realize highly-spin-polarized two-dimensional (2D) electron systems in electrically-controllable epitaxial ultrathin films on semiconductor substrates. Through systematic…

Mesoscale and Nanoscale Physics · Physics 2019-06-12 Xiang-Bo Xiao , Bang-Gui Liu

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

Spin-polarized two-dimensional electron gases (2DEGs) are of particular interest for functional oxide electronics applications. The redox-created 2DEG residing on the strontium titanate, SrTiO$_3$ (STO), side of a europium monoxide…

Photocatalysis, a promising solution for environmental challenges, relies on the generation and utilization of photogenerated charge carriers within photocatalysts. However, recombination of these carriers often limits efficiency.…

Materials Science · Physics 2024-03-18 Mona Asadinamin , Aleksandar Živkovic , Nora H. De Leeuw , Steven P. Lewis

Ultrafast light-matter interactions inspire potential functionalities in picosecond optoelectronic applications. However, achieving directional carrier dynamics in metals remains challenging due to strong carrier scattering within a…

Materials Science · Physics 2025-02-14 S. G. Jeong , I. H. Choi , S. Lee , J. Y. Oh , S. Nair , J. H. Lee , C. Kim , A. Seo , W. S. Choi , T. Low , J. S. Lee , B. Jalan

In this work, we report a high remnant polarization, 2Pr >70$\mu$C/cm$^2$ in thermally processed atomic layer deposited Hf0.5Zr0.5O2 (HZO) film on Silicon with NH3 plasma exposed thin TiN interlayer and Tungsten (W) as a top electrode. The…

Recent advances in moire engineering provide new pathways for manipulating lattice distortions and electronic properties in low-dimensional materials. Here, we demonstrate that twisted stacking can induce dipolar vortices in metallic SrRuO3…

The ability to control waves at the nanoscale has attracted considerable attention to ultrathin metasurface lenses (metalenses) in optical imaging and encryption systems. We propose an approach to active tuning metasurfaces by integrating…

Optics · Physics 2022-10-20 Shamsi Soleimani , Kasra Rouhi , Ali Momeni

The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within the Perdew-Burke- Ernzerhof revised for solids (PBEsol) + U…

Materials Science · Physics 2012-06-04 Huafeng Dong , Jingbo Li , Zhigang Wu

We investigate the impact of uniaxial strain on atomic shifts, dipolar interactions, polarization and electric permittivity in TiO$_2$ (rutile) by using two different implementations of density functional theory. It is shown that…

Materials Science · Physics 2011-11-11 Anna Grünebohm , Mario Siewert , Peter Entel , Claude Ederer

BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…

The ferroelectric trends of rutile (TiO$_2$) in bulk and at the (110) surface are investigated by means of ab initio density functional theory. We discuss the underlying mechanism of the incipient ferroelectric behavior of rutile in terms…

Materials Science · Physics 2015-06-12 Anna Grünebohm , Peter Entel , Claude Ederer
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