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The microscopic origin of the magnetically-driven ferroelectricity in collinear AFM-E orthorhombic manganites is explained by means of first-principles Wannier functions. We show that the polarization is mainly determined by the "asymmetric…

Strongly Correlated Electrons · Physics 2009-11-13 Kunihiko Yamauchi , Frank Freimuth , Stefan Blügel , Silvia Picozzi

Analysis of the band structure of TiS$_3$ single-layers suggests the possibility of changing their physical behaviour by injecting electron carriers. The anisotropy of the valence and conduction bands is explained in terms of their complex…

Materials Science · Physics 2017-05-10 J. A. Silva-Guillén , E. Canadell , P. Ordejón , F. Guinea , R. Roldán

The experimental observation of superconductivity in LaFeAsO appearing on doping is analyzed with the group-theoretical approach that evidently led in a foregoing paper (J. Supercond 24:2103, 2011) to an understanding of the cause of both…

Superconductivity · Physics 2021-06-08 Ekkehard Krüger , Horst P. Strunk

Polar metals are defined by the coexistence of metallicity and polar crystal structure. They have potential applications in non-linear optics, ferroelectric devices, and quantum devices. Meanwhile, ferroelectric-ferromagnetic (FE-FM)…

Strongly Correlated Electrons · Physics 2021-01-04 Xu Sheng , Yanni Gu , Xiao Shen

Multiferroics possess two or more switchable states such as polarization, magnetization, etc. Phonon excitations in multiferroic phase are strongly modified by magnetoelectric coupling, spin-phonon coupling, and anharmonic phonon-phonon…

Materials Science · Physics 2021-10-26 Bommareddy Poojitha , Ankit Kumar , Anjali Rathore , Surajit Saha

Doping of strongly layered ionic oxides is an established paradigm for creating novel electronic behavior. This is nowhere more apparent than in superconductivity, where doping gives rise to high temperature superconductivity in cuprates…

Superconductivity · Physics 2013-07-17 E. R. Ylvisaker , W. E. Pickett

In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical…

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

All-electrical control of a dynamic magnetoelectric effect is demonstrated in a classical multiferroic manganite DyMnO3, a material containing coupled antiferromagnetic and ferroelectric orders. Due to intrinsic magnetoelectric coupling…

Strongly Correlated Electrons · Physics 2017-04-06 A. Shuvaev , V. Dziom , Anna Pimenov , M. Schiebl , A. A. Mukhin , A. Komarek , T. Finger , M. Braden , A. Pimenov

We studied the magnetic behavior of bilayers of multiferroic and nominally antiferromagnetic o-YMnO$_3$ (375~nm thick) and ferromagnetic La$_{0.7}$Sr$_{0.3}$MnO$_3$ and La$_{0.67}$Ca$_{0.33}$MnO$_3$ ($8 \ldots 225~$nm), in particular the…

Materials Science · Physics 2011-07-07 C. Zandalazini , P. Esquinazi , G. Bridoux , J. Barzola-Quiquia , H. Ohldag , E. Arenholz

We investigated a switchable ferroelectric diode effect and its physical mechanism in Pt/BiFeO3/SrRuO3 thin-film capacitors. Our results of electrical measurements support that, near the Pt/BiFeO3 interface of as-grown samples, a defective…

Materials Science · Physics 2011-09-12 Daesu Lee , S. H. Baek , T. H. Kim , J. -G. Yoon , C. M. Folkman , C. B. Eom , T. W. Noh

Polar discontinuities and structural changes at oxide interfaces can give rise to a large variety of electronic and ionic phenomena. Related effects have been intensively studied in epitaxial systems, including ferroelectric domain walls…

The discovery of superconductivity in copper oxide compounds has attracted considerable attention over the past three decades. The high transition temperature in these compounds, exhibiting proximity to an antiferromagnetic order in their…

Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$]…

Materials Science · Physics 2019-10-15 Gang Tang , Wei Ren , Jiawang Hong , Alessandro Stroppa

We have evaluated the successes and failures of the Hubbard-corrected density functional theory (DFT+U) approach to study Mg doping of LiCoO$_2$. We computed the effect of the U parameter on the energetic, geometric and electronic…

Materials Science · Physics 2014-11-07 Juan A. Santana , Jeongnim Kim , P. R. C. Kent , Fernando A. Reboredo

We review pitfalls in recent efforts to make a conventional semiconductor, namely ZnO, ferromagnetic by means of doping with transition metal ions. Since the solubility of those elements is rather low, formation of secondary phases and the…

Materials Science · Physics 2009-08-06 Kay Potzger , Shengqiang Zhou

Polar compensation can play an important role in the determination of interfacial electronic and magnetic properties in oxide heterostructures. Using x-ray absorption spectroscopy, x-ray magnetic circular dichroism, bulk magnetometry, and…

The domain structure of uniaxial ferroelectric lithium niobate single crystals is investigated using Raman spectroscopy mapping. The influence of doping with magnesium and poling at room temperature is studied by analysing frequency shifts…

Materials Science · Physics 2018-02-09 Guillaume F. Nataf , Mael Guennou , Alexander Haußmann , Nick Barrett , Jens Kreisel

The structural and magnetic behavior of Mn-site doped intermetallic manganese silicide alloys of nominal compositions Mn$_{5-x}$A$_x$Si$_3$ ($x$ = 0.05, 0.1, 0.2 and A = Ni, Cr) have been investigated with a focus to the inverted hysteresis…

Materials Science · Physics 2020-06-01 S. C. Das , K. Mandal , N. Khamaru , S. Pramanick , S. Chatterjee

First principle calculations are performed to investigate the effect of polar order strength on the thermoelectric (TE) properties of GeTe alloy in its rhombohedral structure. The variation in the polarization state using various…

Computational Physics · Physics 2026-01-06 Aida Sheibani , Charles Paillard , Abhyian Pandit , Raad Haleoot , Laurent Bellaiche , Bothina Hamad