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The distorted phases of monolayer 1T-MoS$_2$ have distinct electronic properties, with potential applications in optoelectronics, catalysis, and batteries. We theoretically investigate the use of Ni-doping to generate distorted 1T phases,…

Materials Science · Physics 2024-06-13 Rijan Karkee , David A. Strubbe

Ferroelectric photovoltaics (FPVs) have drawn much attention owing to their high stability, environmental safety, anomalously high photovoltages, coupled with reversibly switchable photovoltaic responses. However, FPVs suffer from extremely…

Materials Science · Physics 2017-11-10 Hyeon Han , Donghoon Kim , Ji Hyun Lee , Jucheol Park , Sang Yeol Nam , Mingi Choi , Kijung Yong , Hyun Myung Jang

We consider phase separated states in magnetic oxides (MO) thin films. We show that these states have a non-zero electric polarization. Moreover, the polarization is intimately related to a spatial distribution of magnetization in the film.…

Strongly Correlated Electrons · Physics 2019-10-09 O. G. Udalov , I. S. Beloborodov

Interfacial two-dimensional electron gas (2DEG) formed at the perovskite-type oxide, such as SrTiO3, has attracted significant attention due to its properties of ferromagnetism, superconductivity, and its potential application in…

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

In quantum materials, degeneracies and frustrated interactions can have a profound impact on the emergence of long-range order, often driving strong fluctuations that suppress functionally relevant electronic or magnetic phases. Engineering…

Strongly Correlated Electrons · Physics 2023-08-07 A. S. Disa , J. Curtis , M. Fechner , A. Liu , A. von Hoegen , M. Först , T. F. Nova , P. Narang , A. Maljuk , A. V. Boris , B. Keimer , A. Cavalleri

We investigate the origin of the depolarization rates in ultrathin adsorbate-stabilized ferroelectric wires. By applying density functional theory calculations and analytic modeling, we demonstrate that the depolarization results from the…

Materials Science · Physics 2015-02-16 Y. Qi , J. M. P. Martirez , Wissam A. Saidi , J. J. Urban , W. S. Yun , J. E. Spanier , A. M. Rappe

Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…

Materials Science · Physics 2023-07-12 Yongjin Shin , Giulia Galli

The c(2$\times$2) reconstruction of (001) PbTiO$_3$ surfaces is studied by means of first principles calculations for paraelectric (non-polar) and ferroelectric ([001] polarized) films. Analysis of the atomic displacements in the…

Materials Science · Physics 2009-11-10 Claudia Bungaro , K. M. Rabe

We report the existence of confined electronic states at the (110) and (111) surfaces of SrTiO3. Using angle-resolved photoemission spectroscopy, we find that the corresponding Fermi surfaces, subband masses, and orbital ordering are…

The temperature-dependent polarization of SrTiO_3 thin films is investigated using confocal scanning optical microscopy. A homogeneous out-of-plane and inhomogeneous in-plane ferroelectric phase are identified from images of the linear…

Materials Science · Physics 2009-11-07 Oleg Tikhomirov , Hua Jiang , Jeremy Levy

Increasing demands for electric field-tunable electric, magnetic, and orbital (EMO) materials has renewed interests in ferroelectricity and its coupling to EMO properties in complex perovskite oxides. The historic design strategy to achieve…

Materials Science · Physics 2012-04-12 James M. Rondinelli , Craig J. Fennie

We suggest a consistent microscopic theory of spin injection from a ferromagnet (FM) into a semiconductor (S). It describes tunneling and emission of electrons through modified FM-S Schottky barrier with an ultrathin heavily doped…

Materials Science · Physics 2009-11-10 V. V. Osipov , A. M. Bratkovsky

Asymmetric current--voltage ($I(V)$) curves, known as the diode or rectification effect, in one--dimensional electronic conductors can have their origin from scattering off a single asymmetric impurity in the system. We investigate this…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Bernd Braunecker , D. E. Feldman , J. B. Marston

Enhanced conductivity at ferroelectric domain walls in BiFeO$_3$ has been widely observed, yet the microscopic origins of this effect, including electronic contributions from domain-wall defects, are incompletely understood at the atomistic…

Materials Science · Physics 2025-07-17 Guo-Dong Zhao , Ismaila Dabo , Long-Qing Chen

In ABO3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO3 with an R3c structure [1], but suppress ferroelectricity in CaTiO3 with a Pbnm symmetry [2]. For many…

Materials Science · Physics 2016-04-05 Hongwei Wang , Jianguo Wen , Dean J. Miller , Qibin Zhou , Mohan Chen , Ho Nyung Lee , Karin M. Rabe , Xifan Wu

Modern opto-electronic devices are based on semiconductor heterostructures employing the process of electron-hole pair annihilation. In particular polar materials enable a variety of classic and even quantum light sources, whose on-going…

Mesoscale and Nanoscale Physics · Physics 2017-02-15 G. M. O. Hönig , S. Westerkamp , A. Hoffmann , G. Callsen

Superconducting strontium titanate (STO) is in the spotlight as a low carrier concentration semiconductor in proximity to polar order. Its superconducting pairing mechanism poses an open fundamental challenge, which may be resolved by…

Superconductivity · Physics 2019-08-20 Chloe Herrera , Ilya Sochnikov

Despite its simple structure and low degree of electronic correlation, SrTiO$_3$ (STO) features collective phenomena linked to charge transport and, ultimately, superconductivity, that are not yet fully explained. Thus, a better insight in…

The electrical polarization switching on stoichiometric GaFeO$_{3}$ single crystal was measured, and a new model of atomic displacements responsible for the polarization reverse was proposed. The widely adapted mechanism of polarization…