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Combining classical electrodynamics and density functional theory (DFT) calculations, we develop a general and rigorous theoretical framework that describes the energetics of metal surfaces under high electric fields. We show that the…

Materials Science · Physics 2019-05-22 Andreas Kyritsakis , Ekaterina Baibuz , Ville Jansson , Flyura Djurabekova

We study the structure and energetics of Au$_N$ clusters by means of parameter-free density-functional calculations ($N\le 8$), jellium calculations ($N\le 60$), embedded-atom calculations ($N\le 150$), and parameterized density-functional…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Denitsa Alamanova , Yi Dong , Habib ur Rehman , Michael Springborg , Valeri G. Grigoryan

Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated using traditional density functional approximations, like…

Chemical Physics · Physics 2007-05-23 Julien Toulouse , Andreas Savin

Closed expression for the Green's function of the stationary two-dimensional Schrodinger equation for an electron in group-VI dichalcogenides in the presence of a magnetic field is obtained in terms of the Whittaker functions. The resulting…

Mesoscale and Nanoscale Physics · Physics 2016-12-14 Tomasz M Rusin , Wlodek Zawadzki

We present a theoretical study of the resonance fluorescence spectra of an optically driven quantum dot placed near a single metal nanoparticle. The metallic reservoir coupling is calculated for an 8-nm metal nanoparticle using a…

Mesoscale and Nanoscale Physics · Physics 2013-05-22 Rong-Chun Ge , C. Van Vlack , P. Yao , Jeff. F. Young , S. Hughes

We study the response of a conical metallic surface to an external electromagnetic (EM) field by representing the fields in basis functions containing integrable singularities at the tip of the cone. A fast analytical solution is obtained…

Mesoscale and Nanoscale Physics · Physics 2018-02-28 S. T. Chui , Mengkun Liu , Xinzhong Chen , Zhifang Lin , Jian Zi

We develop a Green's function formalism for spin transport through heterostructures that contain metallic leads and insulating ferromagnets. While this formalism in principle allows for the inclusion of various magnonic interactions, we…

Mesoscale and Nanoscale Physics · Physics 2017-11-22 Jiansen Zheng , Scott Bender , Jogundas Armaitis , Roberto E. Troncoso , R. A. Duine

This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…

Strongly Correlated Electrons · Physics 2009-04-22 S Chadov , G. H. Fecher , C. Felser , J. Minár , J. Braun , H. Ebert

Electronic resonances are metastable states with finite lifetimes, encountered in processes such as photodetachment, electron transmission, and Auger decay. Resonances appear in Hermitian quantum mechanics as increased density of states in…

Chemical Physics · Physics 2025-11-10 Cansu Utku , Garrette Pauley Paran , Thomas-C. Jagau

Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important…

Soft Condensed Matter · Physics 2007-05-23 D. R. Roy , V. Subramanian , P. K. Chattaraj

The space-like asymptotic limit of the bilocal composite field of the state consisting of a nucleus and an electron is studied. It is shown that the resulting local field of an atom satisfies the proper commutation relations in the…

High Energy Physics - Theory · Physics 2007-05-23 Hitoshi Ito

In the framework of the many-electron s-d exchange model and Hubbard model, self-consistent equations are derived for the one-particle retarded Green's function in the many-electron Hubbard X-operator representation. We analyze the general…

Strongly Correlated Electrons · Physics 2015-06-03 A. O. Anokhin , A. V. Zarubin , V. Yu. Irkhin

Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Magnus Paulsson , Thomas Frederiksen , Mads Brandbyge

We develop a quasiclassical method based on the path integral formalism, to study the influence of disorder on magnetooscillations of the density of states and conductivity. The treatment is appropriate for electron systems in the presence…

Condensed Matter · Physics 2007-05-23 A. D. Mirlin , E. Altshuler , P. Woelfle

We examined in this work the effect of the inter-grains distributions as well as the scaling of the complex impedance in order to analyze its frequency dependance for composite metal-insulator films. The dependance of the characteristic…

Disordered Systems and Neural Networks · Physics 2007-05-23 Lotfi Zekri , Nouredine Zekri , Jean-Pierre Clerc

We study discrete random Schr\"odinger operators via the supersymmetric formalism. We develop a cluster expansion that converges at both strong and weak disorder. We prove the exponential decay of the disorder-averaged Green's function and…

Mathematical Physics · Physics 2020-10-15 Luca Fresta

The high density of evanescent modes in the vicinity of a metal leads to enhancement of the near-field F\"{o}rster resonant energy transfer (FRET) rate. We present a classical approach to calculate the FRET rate based on the dyadic Green's…

Mesoscale and Nanoscale Physics · Physics 2016-03-01 Amrit Poudel , Xin Chen , Mark A. Ratner

Motivated by recent suggestions --to split the electron-electron interaction into a short-range part, to be treated within the density functional theory, and a long-range part, to be handled by other techniques-- we compute, with a…

Materials Science · Physics 2009-11-10 Lorenzo Zecca , Paola Gori-Giorgi , Saverio Moroni , Giovanni B. Bachelet

In order to estimate the effects of local structure on the Hubble parameter we calculate the low-redshift expansion for $H(z)$ and $\frac{\delta H}{H}$ for an observer at the center of a spherically symmetric matter distribution in presence…

General Relativity and Quantum Cosmology · Physics 2016-07-29 Antonio Enea Romano , Sergio Andres Vallejo

We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…

Materials Science · Physics 2007-05-23 Joydeep Bhattacharjee , Umesh V Waghmare