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Density functional plus dynamical mean field calculations are used to show that in transition metal oxides, rotational and tilting (GdFeO$_3$-type) distortions of the ideal cubic perovskite structure produce a multiplicity of low-energy…

Strongly Correlated Electrons · Physics 2015-09-08 Hung T. Dang , Jernej Mravlje , Antoine Georges , Andrew J. Millis

Using valence band photoemission we have demonstrated the presence of a pseudogap in the near Fermi level electronic spectrum of some of the mixed phase compositions of Sm$_{1-x}$Ca$_x$MnO$_3$ system. The pseudogap was found to grow in size…

Materials Science · Physics 2008-05-07 P. Pal , M. K. Dalai , R. Kundu , B. R. Sekhar , C. Martin

The present work reviews the charge compensation in Ni based layered oxides (LiNi1-xMexO2 with x <= 0.2, Me = Co, Mn, space group R-3m) relating performance parameters to changes in the electronic and crystallographic structure of the…

The temperature (T) dependent x-ray diffraction (XRD) and resistivity measurements of La0.175Pr0.45Ca0.375MnO3 (LPCMO) have been performed down to 2K to understand the structural and transport properties. From room temperature down to 220K,…

Materials Science · Physics 2016-06-22 Shivani Sharma , Aga Shahee , Kiran Singh , N. P. Lalla

At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed…

We report a density functional study on the evolution of the electronic and lattice structure in BiFeO$_3$ with injected electrons and holes. First, the self-trapping of electrons and holes were investigated. We found that the injected…

Materials Science · Physics 2016-05-25 Xu He , Kui-juan Jin , Hai-zhong Guo , Chen Ge

Organic semiconductors are a promising class of materials for numerous electronic and optoelectronic applications, including solar cells. However, these materials tend to be extremely sensitive to the local environment and surrounding…

Mesoscale and Nanoscale Physics · Physics 2023-03-29 Katherine A. Cochrane , Tanya S. Roussy , Bingkai Yuan , Gary Tom , Erik Mårsell , Sarah A. Burke

We show that the growth of the heterostructure LaGaO3/SrTiO3 yields the formation of a highly conductive interface. Our samples were carefully analyzed by high resolution electron microscopy, in order to assess their crystal perfection and…

The great potential of memristive devices for real-world applications still relies on overcoming key technical challenges, including the need for a larger number of stable resistance states, faster switching speeds, lower SET/RESET…

Modulation-doped oxide two-dimensional electron gas (2DEG) formed at the LaMnO3 (LMO) buffered disorderd-LaAlO3/SrTiO3 (d-LAO/LMO/STO) heterointerface, provides new opportunities for electronics as well as quantum physics. Herein, we…

Materials Science · Physics 2017-04-05 Y. Z. Chen , Y. L. Gan , D. V. Christensen , Y. Zhang , N. Pryds

The physics of oxide superlattices is considered for pristine (001) multilayers of the band insulators LaAlO3 and SrTiO3 with alternating p and n interfaces. First principles results and a model of capacitor plates offer a simple paradigm…

Mesoscale and Nanoscale Physics · Physics 2009-07-29 N. C. Bristowe , Emilio Artacho , P. B. Littlewood

In this paper we study the electrostatic interaction of a heterogeneously charged wall with a neutral semipermeable membrane. The wall consists of periodic stripes, where the charge density varies in one direction. The membrane is in a…

Soft Condensed Matter · Physics 2017-02-08 Salim R. Maduar , Vladimir Lobaskin , Olga I. Vinogradova

Interfaces in oxide heterostructures always provide a fertile ground for emergent properties. Charge transfer from a high energy band to a low energy opponent is naturally expected, as occurring in semiconductor $p$-$n$ junctions. In this…

Strongly Correlated Electrons · Physics 2015-05-29 Huimin Zhang , Yakui Weng , Xiaoyan Yao , Shuai Dong

Combination of electric fields and Joule self-heating is used to change the oxygen stoichiometry and promote oxygen vacancy drift in a free-standing $\mathrm{(La,Sr)MnO_3}$ thin film microbridge placed in controlled atmosphere. By…

Strongly Correlated Electrons · Physics 2017-02-06 Nicola Manca , Luca Pellegrino , Daniele Marré

We report on the transport properties of hybrid devices obtained by depositing graphene on a LaAlO3/SrTiO3 oxide junction hosting a 4 nm-deep two-dimensional electron system. At low graphene-oxide inter-layer bias the two electron systems…

Mesoscale and Nanoscale Physics · Physics 2016-07-14 I. Aliaj , I. Torre , V. Miseikis , E. di Gennaro , A. Sambri , A. Gamucci , C. Coletti , F. Beltram , F. M. Granozio , M. Polini , V. Pellegrini , S. Roddaro

Atomically sharp oxide heterostructures exhibit a range of novel physical phenomena that do not occur in the parent bulk compounds. The most prominent example is the appearance of highly conducting and superconducting states at the…

Heterointerfaces of cubic boron nitride (cBN) with diamond have garnered significant interest due to their ultra-wide bandgaps and small lattice mismatch ($\sim1.5$\%), offering promising advancements in high-power and high-frequency…

Molecular zero-dimensional (0D) halide perovskite-inspired cesium copper iodide (Cs3Cu2I5) is a highly promising candidate for optoelectronic applications due to their low toxicity, high stability, and intense blue emission. However, their…

On the basis of ab-initio total-energy electronic-structure calculations, we find that interface localized electron states at the SiC/SiO$_2$ interface emerge in the energy region between 0.3 eV below and 1.2 eV above the bulk…

Materials Science · Physics 2017-11-22 Yu-ichiro Matsushita , Atsushi Oshiyama

The interface structure of Fe/MgO(100) magnetic tunnel junctions predicted by density functional theory (DFT) depends significantly on the choice of exchange and correlation functional. Bader analysis reveals that structures obtained by…

Materials Science · Physics 2015-05-13 Xiaobing Feng , O. Bengone , M. Alouani , S. Lebégue , I. Rungger , S. Sanvito
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