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First-principles density functional calculations show that the $\textrm{SrRuO}_{3}/\textrm{PbTiO}_{3}/\textrm{SrRuO}_{3}$ multiferroic junction with asymmetric (RuO$_{2}$/PbO and TiO$_{2}$/SrO) interfaces has a large ferroelectric…

Materials Science · Physics 2013-12-20 Francesco Ricci , Alessio Filippetti , Vincenzo Fiorentini

Ultrawide bandgap semiconductor gallium oxide (Ga2O3) and its polymorphs have recently attracted increasing attention across physics, materials science, and electronics communities. In particular, the self-organized formation of the…

By means of ab initio calculations within the density functional theory (DFT) electronic and magnetic properties of BaTiO3/LaMnO3 interface were investigated. An impact of ferroelectric overlayer thickness onto the interface properties was…

Materials Science · Physics 2022-06-07 Irina Piyanzina , Rinat Mamin

Spin field-effect transistors (SFETs) are promising candidates for low-power spin-based electronics, yet existing realizations that rely on spin-orbit coupling are constrained by limited material choices and short spin-coherence lengths.…

Materials Science · Physics 2025-12-03 Ziye Zhu , Xianzhang Chen , Xunkai Duan , Zhou Cui , Jiayong Zhang , Igor Zutic , Tong Zhou

In this work, we report on the epitaxial growth of multiferroic YMnO3 on GaN. Both materials are hexagonal with a nominal lattice mismatch of 4%, yet x-ray diffraction reveals an unexpected 30 degree rotation between the unit cells of YMnO3…

Materials Science · Physics 2015-06-25 A. Posadas , J. -B. Yau , J. Han , C. H. Ahn , S. Gariglio , K. Johnston , J. B. Neaton , K. M. Rabe

First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…

Materials Science · Physics 2007-05-23 Hong-Jian Feng , Fa-Min Liu

Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…

Materials Science · Physics 2024-06-05 Apurba Sarkar , Joydeep Chatterjee , Arghya Taraphder , Nandan Pakhira

The electronic structure and spin-dependent tunneling in epitaxial Fe/MgO/Fe(001) tunnel junctions are studied using first-principles calculations. For small MgO barrier thickness the minority-spin resonant bands at the two interfaces make…

Materials Science · Physics 2007-08-16 K. D. Belashchenko , J. Velev , E. Y. Tsymbal

The hexagonal multiferroic oxide YMnO$_3$ has demonstrated applications in various fields and is widely researched due to its interesting properties. Since Mn(3d)--O(2p) interactions predominate close to the Fermi level, doping in the…

Materials Science · Physics 2025-10-22 Kazi Mazba Kamal , Alamgir Kabir

We report on experiments of spin filtering through ultra-thin single-crystal layers of the insulating and ferromagnetic oxide BiMnO3 (BMO). The spin polarization of the electrons tunneling from a gold electrode through BMO is analyzed with…

Materials Science · Physics 2009-11-11 M. Gajek , M. Bibes , A. Barthelemy , K. Bouzehouane , S. Fusil , M. Varela , J. Fontcuberta , A. Fert

We report on our investigation of the electrical properties of metal/Al2O3/GaN metal-insulator-semiconductor (MIS) capacitors. We determined the conduction band offset and interface charge density of the alumina/GaN interface by analyzing…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Michele Esposto , Sriram Krishnamoorthy , Digbijoy N. Nath , Sanyam Bajaj , Ting-Hsiang Hung , Siddharth Rajan

We study theoretically the magnetic and electric properties of the interface between two antiferromagnetic and insulating manganites: La0.5Ca0.5MnO3, a strong correlated insulator, and CaMnO3, a band-insulator. We find that a ferromagnetic…

Strongly Correlated Electrons · Physics 2008-08-27 M. J. Calderon , J. Salafranca , L. Brey

Band offsets at semiconductor-oxide interfaces are determined through a scheme based on hybrid density functionals, which incorporate a fraction $\alpha$ of Hartree-Fock exchange. For each bulk component, the fraction $\alpha$ is tuned to…

Materials Science · Physics 2008-09-19 Audrius Alkauskas , Peter Broqvist , Fabien Devynck , Alfredo Pasquarello

An elegant approach on the synthesis of graphene on the strong ferromagnetic (FM) material Mn$_5$Ge$_3$ is proposed via intercalation of Mn in the graphene-Ge(111) interface. According to the DFT calculations, graphene in this strongly…

Materials Science · Physics 2019-08-12 Elena Voloshina , Yuriy Dedkov

After more than a decade of extensive research on the magnetic order triggered by lattice defects in a wide range of nominally non-magnetic materials, we report its application in a spintronic device. This device is based on a spin-filter…

Mesoscale and Nanoscale Physics · Physics 2017-07-10 L. Botsch , I. Lorite , Y. Kumar , P. Esquinazi , T. Michalsky , J. Zajadacz , K. Zimmer

Magnetoelectric multiferroic composite of two types of multiferroic (Type I and II) consisting BiFeO3 and TbMnO3 is studied for enhanced magnetic and transport properties. A narrower band gap is estimated from the UV-visible absorption…

By means of ab initio calculations the possibilities of switchable spin-polarized two-dimensional electron gas (2DEG) at the interface of antiferromagnetic and ferroelectric perovskites, i.e., LaMnO3/BaTiO3 superlattice, were investigated.…

Materials Science · Physics 2022-01-25 Irina Piyanzina , Rinat Mamin

Proximity effects induced in the 2D Dirac material graphene potentially open access to novel and intriguing physical phenomena. Thus far, the coupling between graphene and ferromagnetic insulators has been experimentally established.…

First-principles density functional calculations demonstrate that a spin-polarized two-dimensional conducting state can be realized at the interface between two non-magnetic band insulators. The (001) surface of the diamagnetic insulator…

Materials Science · Physics 2011-10-13 J. D. Burton , E. Y. Tsymbal

We investigate the electronic and magnetic properties of graphene channels ($2$--$4$~nm wide) embedded within fluorographene, focusing on two distinct interfaces: the fully fluorinated $\alpha$ interface and the half-fluorinated $\beta$…

Mesoscale and Nanoscale Physics · Physics 2024-10-01 R. M. Guzmán-Arellano , A. D. Hernández-Nieves , F. M. Peeters , Gonzalo Usaj
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