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The emerging interest in two-dimensional electron gases (2DEGs), formed at interfaces between two insulating oxide perovskites poses crucial fundamental question in view of future electronic devices. In the framework of density-functional…

Materials Science · Physics 2022-03-09 Le Fang , Wahib Aggoune , Wei Ren , Claudia Draxl

A ferroelectric is a material with a polar structure whose polarity can be reversed by applying an electric field. In metals, the itinerant electrons tend to screen electrostatic forces between ions, helping to explain why polar metals are…

The full monolayer of pentacene adsorbed on rutile TiO$_2$(110) provides an intriguing model to study charge-transfer excitations where the optically excited electrons and holes reside on different sides of the internal interface between…

Materials Science · Physics 2016-10-07 M. P. Ljungberg , O. Vänskä , P. Koval , S. W. Koch , M. Kira , D. Sánchez-Portal

The control of spin-dependent properties by voltage, not involving magnetization switching, has significant advantages for low-power spintronics. Here, we predict that the interfacial crystal Hall effect (ICHE) can serve for this purpose.…

Materials Science · Physics 2021-03-01 Ding-Fu Shao , Jun Ding , Gautam Gurung , Shu-Hui Zhang , Evgeny Y. Tsymbal

On the basis of first-principles calculations we study the effect of interfacial Cr on the magnetoelectric properties of a composite multiferroic Fe_L/BaTiO_3(001), with the Fe thickness L=1,2 monolayers. The use of the CrO_2-terminated…

Materials Science · Physics 2015-05-19 Martin Hölzer , Michael Fechner , Sergey Ostanin , Ingrid Mertig

We conceptualized three-array scalable metasurfaces comprising only three thin strip grids and numerically demonstrated their characteristics in the mid-infrared spectral regime for switchable polarization manipulation and related…

Optics · Physics 2022-03-25 Andriy E. Serebryannikov , Akhlesh Lakhtakia , Ekmel Ozbay

We investigate spin dynamics in $\alpha$-Fe$_{2}$O$_{3}$/Ni$_{80}$Fe$_{20}$ (Py) heterostructures, uncovering a robust mechanism for in-situ modulation of ferromagnetic resonance (FMR) through precise control of temperature, applied…

Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity could, for example, enable broadband, strain-tunable…

Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small energy difference of ~ 1 meV/f.u. between…

Materials Science · Physics 2014-10-22 Sebastian E. Reyes-Lillo , Kevin F. Garrity , Karin M. Rabe

Metasurfaces hold great potentials for advanced holographic display with extraordinary information capacity and pixel sizes in an ultrathin flat profile. Dual-polarization channel to encode two independent phase profiles or spatially…

We demonstrate the integration of a thin BaTiO$_3$ (BTO) membrane with monolayer MoSe$_2$ in a dual gate device that enables in-situ manipulation of the BTO ferroelectric polarization with a voltage pulse. While two-dimensional (2D)…

Recent experimental results demonstrate that in thin films ferroelectricity persists down to film thickness of a few unit cells. This finding opens an avenue for novel electronic devices based on ultathin ferroelectrics, but also raises…

Materials Science · Physics 2015-06-25 Chun-Gang Duan , Renat F. Sabirianov , Wai-Ning Mei , Sitaram S. Jaswal , Evgeny Y. Tsymbal

Most functional materials possess one single outstanding property and are limited to be used for a particular purpose. Instead of integrating materials with different functions into one module, designing materials with controllable…

Materials Science · Physics 2024-12-10 Pingwei Liu , Dan Liu , Shixin Song , Kang Li , Xueyong Yuan , Jie Guan

Black TiO2 nanoparticles with a crystalline-core and amorphous-shell structure exhibit superior optoelectronic properties in comparison with pristine TiO2. The fundamental mechanisms underlying these enhancements, however, remain unclear,…

Moire engineering in two-dimensional transition metal dichalcogenides enables access to correlated quantum phenomena. Realizing such effects demands simultaneous control over twist angle and material composition to modulate phonons,…

Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single phase material. This phenomenon has the potential to control the magnetic state of…

We show that the Rashba effect at the polar perovskite surfaces and interfaces can be tuned by manipulating the two-dimensional electron gas (2DEG) by an applied electric field, using it to draw the 2DEG out to the surface or push it deeper…

Mesoscale and Nanoscale Physics · Physics 2014-03-21 K. V. Shanavas , S. Satpathy

Van der Waals heterostructures formed by stacking two-dimensional atomic crystals are a unique platform for exploring new phenomena and functionalities. Interlayer excitons, bound states of spatially separated electron-hole pairs in van der…

Materials Science · Physics 2018-02-14 Zefang Wang , Yi-Hsin Chiu , Kevin Honz , Kin Fai Mak , Jie Shan

The effect of polarization rotation on the performance of metal oxide semiconductor field-effect transistors was investigated with a Landau-Ginzburg-Devonshire theory based model. In this analytical model, depolarization field, polarization…

Materials Science · Physics 2015-07-06 Yubo Qi , Andrew M. Rappe

The (111), (110), and (001) surfaces properties of PuO2 are studied by using density-functional theory+U method. The total-energy static calculations determine the relative order of stability for low-index PuO2 surfaces, namely,…

Materials Science · Physics 2012-08-21 Bo Sun , Haifeng Liu , Haifeng Song , Guang-Cai Zhang , Hui Zheng , Xian-Geng Zhao , Ping Zhang