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The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…

Materials Science · Physics 2009-11-10 Rodrigo B. Capaz , Catalin D. Spataru , Paul Tangney , Marvin L. Cohen , Steven G. Louie

We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential implementation of density functional theory and density…

Materials Science · Physics 2009-10-31 Nicola A. Hill , Umesh Waghmare

Optical and magneto-optical properties of magnetic materials have been widely exploited to characterize magnetic structures and phenomena, however, their temperature dependence is not well understood. This study implements the supercell…

Materials Science · Physics 2024-04-05 Kisung Kang , David G. Cahill , André Schleife

Effects of electron correlation on the electronic structure and magnetic properties of the Gd(0001) surface are investigated using of the full-potential linearized augmented plane wave implementation of correlated band theory ("LDA+U"). The…

Strongly Correlated Electrons · Physics 2009-10-31 A. B. Shick , W. E. Pickett , C. S. Fadley

The electron band structure of graphene on SrTiO3 substrate has been investigated as a function of temperature. The high-resolution angle-resolved photoemission study reveals that the spectral width at Fermi energy and the Fermi velocity of…

Consistent account is provided of strongly anisotropic properties in thermodynamics of MgB$_2$ under magnetic field $H$ using approximate analytic solution in the quasiclassical formalism. With the strength of the pairing interactions and…

Superconductivity · Physics 2009-11-10 Masatoshi Mugikura , Hiroaki Kusunose , Yoshio Kuramoto

Edge states in narrow quasi two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric and magnetic properties. Non-magnetic edge states may quite often lead to topological insulator type behavior. However…

Mesoscale and Nanoscale Physics · Physics 2017-10-31 Stefan Krompiewski , Gianaurelio Cuniberti

The Euclidean-time hadronic current correlation functions, $G_P(\tau, T)$ and $G_V(\tau, T)$, of pseudoscalar and vector currents have recently been calculated in lattice simulations of QCD and have been used to obtain the corresponding…

High Energy Physics - Phenomenology · Physics 2009-11-10 Bing He , Hu Li , C. M. Shakin , Qing Sun

Finite temperature effects have a pronounced impact on the transport properties of solids. In magnetic systems, besides the scattering of conduction electrons by impurities and phonons, an additional scattering source coming from the…

Materials Science · Physics 2017-03-15 Kristina Chadova , Sergiy Mankovsky , Jan Minár , Hubert Ebert

We report the observation of temperature dependent electronic excitations in various manganites utilizing resonant inelastic x-ray scattering (RIXS) at the Mn K-edge. Excitations were observed between 1.5 and 16 eV with temperature…

Strongly Correlated Electrons · Physics 2009-11-10 S. Grenier , J. P. Hill , V. Kiryukhin , W. Ku , Y. -J. Kim , K. J. Thomas , S-W. Cheong , Y. Tokura , Y. Tomioka , D. Casa , T. Gog

Low temperature scanning tunneling spectroscopy of HfNiSn shows a V^m(m < 1) zero bias anomaly around the Fermi level. This local density of states with a fractional power law shape is well known to be a consequence of electronic…

Disordered Systems and Neural Networks · Physics 2020-12-09 Minjie Lu , Hao Chen , Glenn Agnolet

By developing a two-dimensional (2D) full quantum simulation, the attributes of carbon nanotube field-effect transistors (CNTFETs) in different temperatures have been comprehensively investigated. Simulations have been performed by…

Materials Science · Physics 2017-02-07 Ali Naderi , S. Mohammad Noorbakhsh , Hossein Elahipanah

In the present work, we show the importance of temperature dependent energy band gap, E$_{g}$(T), in understanding the high temperature thermoelectric (TE) properties of material by considering LaCoO$_{3}$ (LCO) and ZnV$_{2}$O$_{4}$ (ZVO)…

Strongly Correlated Electrons · Physics 2016-10-21 Saurabh Singh , Sudhir K. Pandey

Near-bandgap photoemission spectroscopy experiments were performed on p-GaN and p-InGaN/GaN photocathodes activated to negative electron affinity. The photoemission quantum yield of the InGaN samples drops by more than one order of…

Electronic transport properties of the Si(111)-$(\sqrt{3}\times\sqrt{3})$-Sn surface formed on low doped Si substrates are studied using two-probe conductivity measurements and tunnelling spectroscopy. We demonstrate that the ground state…

Strongly Correlated Electrons · Physics 2017-05-31 A. B. Odobescu , A. A. Maizlakh , N. I. Fedotov , S. V. Zaitsev-Zotov

Thermal conductance of a homogeneous 1D nonlinear lattice system with neareast neighbor interactions has recently been computationally studied in detail by Li et al [Eur. Phys. J. B {\bf 88}, 182 (2015)], where its power-law dependence on…

Statistical Mechanics · Physics 2017-06-07 Yunyun Li , Nianbei Li , Ugur Tirnakli , Baowen Li , Constantino Tsallis

We investigate the behavior of the spectral weight near the Fermi level of NdNiO3 thin films as a function of temperature across the metal-to-insulator transition (MIT) by means of ultraviolet photoelectron spectroscopy. The spectral weight…

Strongly Correlated Electrons · Physics 2015-06-12 E. F. Schwier , R. Scherwitzl , Z. Vydrova , M. , Garcia-Fernandez , M. Gibert , P. Zubko , M. G. Garnier , J. -M. Triscone , P. Aebi

Titanium trisulfide (TiS3) has recently attracted the interest of the 2D community as it presents a direct bandgap of ~1.0 eV, shows remarkable photoresponse, and has a predicted carrier mobility up to 10000 cm2V-1 s-1. However, a study of…

A charge-density-wave (CDW) is characterized by a dynamical order parameter consisting of a time-dependent amplitude and phase, which manifest as optically-active collective modes of the CDW phase. Studying the behaviour of such collective…

The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…

Strongly Correlated Electrons · Physics 2009-11-11 M. W. C. Dharma-wardana
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