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Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures.…

Materials Science · Physics 2009-10-13 Hasan Sadat Nabi , Rossitza Pentcheva

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

Monolayer films of FeSe grown on SrTiO$_3$ substrates exhibit significantly higher superconducting transition temperatures than those of bulk FeSe. Interaction of electrons in the FeSe layer with dipolar SrTiO$_3$ phonons has been suggested…

Superconductivity · Physics 2017-08-21 Yuanjun Zhou , Andrew J. Millis

Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…

Materials Science · Physics 2009-11-13 L. Pisani , B. Montanari , N. M. Harrison

Graphene is considered to be a promising candidate for future nano-electronics due to its exceptional electronic properties. Unfortunately, the graphene field-effect-transistors (FETs) cannot be turned off effectively due to the absence of…

Materials Science · Physics 2010-02-11 Fengnian Xia , Damon B. Farmer , Yu-ming Lin , Phaedon Avouris

Interfacial interactions allow the electronic properties of graphene to be modified, as recently demonstrated by the appearance of satellite Dirac cones in the band structure of graphene on hexagonal boron nitride (hBN) substrates. Ongoing…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Zhe Wang , Dong-Keun Ki , Hua Chen , Helmuth Berger , Allan H. MacDonald , Alberto F. Morpurgo

Effects of electron-phonon interactions on the band structure can be experimentally investigated in detail by measuring the temperature dependence of energy gaps or critical points (van Hove singularities) of the optical excitation spectra.…

Superconductivity · Physics 2009-11-10 Manuel Cardona

In this work, we present a semi-analytical expression for the temperature dependence of a spin-resolved dynamical density-density response function of massless Dirac fermions within the Random Phase Approximation. This result is crucial in…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 A. Faridi , M. Pashangpour , Reza Asgari

We report the first combined study of the low-energy electronic band structure of epitaxial Sr$_3$Ru$_2$O$_7$ films using angle-resolved photoemission spectroscopy and density functional theory. The complete Fermi-surface topography of the…

We present an angle-resolved photoemission spectroscopy study of the electronic structure of SnTe, and compare the experimental results to ab initio band structure calculations as well as a simplified tight-binding model of the p-bands. Our…

Using full-potential density functional theory (DFT) calculations, we found a small asymmetry in the Fermi velocity of electrons and holes in graphene. These Fermi velocity values and their average were found to decrease with increasing…

Mesoscale and Nanoscale Physics · Physics 2013-02-08 Harihar Behera , Gautam Mukhopadhyay

We describe very fast electron dynamics for a graphene nanoribbon driven by a control electromagnetic field in the terahertz regime. The mobility as a function of bias possesses a large threshold value when entering a nonlinear transport…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Danhong Huang , Godfrey Gumbs , O. Roslyak

The emerging material class of complex-oxides, where manipulation of physical properties lead to new functionalities at their heterointerfaces, is expected to open new frontiers in Spintronics. For example, SrRuO_3 is a promising material…

Strongly Correlated Electrons · Physics 2015-11-09 S. Roy , C. Autieri , B. Sanyal , T. Banerjee

We report a fully {\it ab-initio} calculation of the temperature dependence of the electronic band structure of PbTe. We address two main features relevant for the thermoelectric figure of merit: the temperature variations of the direct gap…

Materials Science · Physics 2019-05-29 José D. Querales-Flores , Jiang Cao , Stephen Fahy , Ivana Savić

The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different shapes of the substitutional Si doping in the graphene are…

Mesoscale and Nanoscale Physics · Physics 2019-10-29 Hunar Omar Rashid , Nzar Rauf Abdullah , Vidar Gudmundsson

Combining the quantum optical properties of single-photon emitters with the strong near-field interactions available in nanophotonic and plasmonic systems is a powerful way of creating quantum manipulation and metrological functionalities.…

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.…

Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a first-principles approach to compute e-ph scattering and…

Materials Science · Physics 2018-12-04 Jin-Jian Zhou , Olle Hellman , Marco Bernardi

As the synthesis of graphene on copper became one of the primary preparation methods for both fundamental research and industrial application, Raman spectra of graphene/Cu systems need to be quantitatively understood regarding how their…

Materials Science · Physics 2020-08-07 Jieun Choi , Seonghyun Koo , Myeongin Song , Daeyool Jung , Sungyool Choi , Sunmin Ryu

We investigate decoherence of an electron in graphene caused by electron-flexural phonon interaction. We find out that flexural phonons can produce dephasing rate comparable to the electron-electron one. The problem appears to be quite…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Konstantin S. Tikhonov , Wei L. Z. Zhao , Alexander M. Finkel'stein