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We investigate the origin of superconductivity in doped SrTiO$_3$ (STO) using a combination of density functional and strong coupling theories within the framework of quantum criticality. Our density functional calculations of the…

Superconductivity · Physics 2015-12-16 Jonathan M. Edge , Yaron Kedem , Ulrich Aschauer , Nicola A. Spaldin , Alexander V. Balatsky

The first switchable electric polarization in metals was recently discovered in bilayer and trilayer WTe2. Strangely, despite the tininess of the ordered polarization, the ferroelectricity survives up to 350 K, rendering the mechanism of…

Materials Science · Physics 2025-07-25 Fangyuan Gu , Ruoshi Jiang , Wei Ku

The past decade's discovery of topological excitations in nanoscale ferroelectrics has turned the prevailing view that the polar ground state in these materials is uniform. However, the systematic understanding of the topological polar…

Mesoscale and Nanoscale Physics · Physics 2023-04-05 Svitlana Kondovych , Maksim Pavlenko , Yurii Tikhonov , Anna Razumnaya , Igor Lukyanchuk

Ferroelectric materials are the core of common technologies, such as medical ultrasound, mobile-phone antennae and low-power memory devices. The technological interest in ferroelectrics stems from the existence of switchable mesoscale…

Mesoscale and Nanoscale Physics · Physics 2019-04-01 Asaf Hershkovitz , Florian Johann , Maya Barzilay , Alon Hendler Avidor , Yachin Ivry

A first-principles-based technique is developed to investigate properties of Ba(Zr,Ti)O$_3$ relaxor ferroelectrics as a function of temperature. The use of this scheme provides answers to important, unresolved and/or controversial…

Materials Science · Physics 2015-06-05 A. R. Akbarzadeh , S. Prosandeev , Eric J. Walter , A. Al-Barakaty , L. Bellaiche

Interfacing complex oxides in atomically engineered layered structures can give rise to a wealth of exceptional electronic and magnetic properties that surpass those of the individual building blocks. Herein, we demonstrate a ferromagnetic…

Ferroelectric soft mode properties in ceramics and thin films are reviewed and compared with single crystals. In general, the permittivity in ceramics and thin films is markedly reduced compared to the single crystals mainly because of…

Materials Science · Physics 2007-05-23 J. Petzelt , S. Kamba , J. Hlinka

Heterointerfaces of SrTiO$_{3}$ with other transition metal oxides make up an intriguing family of systems with a bounty of coexisting and competing physical orders. Some examples, such as LaAlO$_{3}$/SrTiO$_{3}$, support a high carrier…

Mesoscale and Nanoscale Physics · Physics 2017-04-20 Will J. Hardy , Brandon Isaac , Patrick Marshall , Evgeny Mikheev , Panpan Zhou , Susanne Stemmer , Douglas Natelson

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

The structural phase transition in hexagonal BaMnO$_3$ occurring at $T_c$=130 K was studied in ceramic samples using electron and X-ray diffraction, second harmonic generation as well as by dielectric and lattice dynamic spectroscopies. The…

Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…

Materials Science · Physics 2022-07-12 Simon Mellaerts , Jin Won Seo , Valeri Afanas'ev , Michel Houssa , Jean-Pierre Locquet

Polar crystals composed of charged ionic planes cannot exist in nature without acquiring surface changes to balance an ever-growing dipole. The necessary changes can manifest structurally or electronically. An electronic asymetry has long…

The puzzling observation of room temperature ferromagnetism in double perovskites (A$_2$BB$'$O$_6$), despite having the magnetic lattice of B-ions diluted by non-magnetic B$'$-ions, have been examined for Sr$_2$FeReO$_6$. {\it Ab-initio}…

Strongly Correlated Electrons · Physics 2022-02-03 Shishir K. Pandey , Ashis K. Nandy , Poonam Kumari , Priya Mahadevan

We have fabricated a variety of "PZT-PFW" (PbZr0.52Ti0.48O3)1-x(PbFe2/3W1/3O3)x [PZTFWx; 0.2 < x < 0.4] single-phase tetragonal ferroelectrics via chemical solution deposition (CSD) [polycrystalline] and pulsed laser deposition (PLD)…

Materials Science · Physics 2010-06-18 Ashok Kumar , Ram S. Katiyar , James F. Scott

Specific heat measurements and theoretical calculations reveal an intimate analogy between EuTiO3 and SrTiO3. For EuTiO3 a hitherto unknown specific heat anomaly is discovered at TA=282(1)K which is analogous to the well known specific heat…

Strongly Correlated Electrons · Physics 2015-05-28 A. Bussmann-Holder , J. Köhler , R. K. Kremer , J. M. Law

By assuming a more realistic nucleation and polarization reversal scenario we build a new statistical switching model for ferroelectrics, which is different from either the Kolmogorov-Avrami-Ishibashi (KAI) model or the…

Data Analysis, Statistics and Probability · Physics 2008-12-05 X. J. Lou

We present experimental evidence for small-moment magnetism below the ferromagnetic transition temperature (T_c3 = 183 K) in the quasi-one-dimensional metal BaIrO_3. Further, we identify rearrangement of the local magnetic moment…

Strongly Correlated Electrons · Physics 2009-11-11 M. L. Brooks , S. J. Blundell , T. Lancaster , W. Hayes , F. L. Pratt , P. P. C. Frampton , P. D. Battle

The recent discovery of magnetic ordering in two-dimension has lead to colossal efforts to find atomically thin materials that order at high temperatures. However, due to fundamental spin fluctuation in reduced dimension, the…

Strongly Correlated Electrons · Physics 2023-05-02 Chandan K. Singh , Mukul Kabir

Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…

Materials Science · Physics 2013-06-20 Alexander I. Lebedev

The origin of the metal-to-insulator transition in RNiO3 perovskites with trivalent 4f ion has challenged the condensed matter research community for almost three decades. A drawback for progress in this direction has been the lack of…