English
Related papers

Related papers: Density-functional study of electronic structure o…

200 papers

The density functional theory is used to study the electronic structure of a quantum wire in a magnetic field. In a GaAs quantum wire, a critical density has been found, below which the electron density has a strong spatial inhomogeneity.…

Mesoscale and Nanoscale Physics · Physics 2022-12-29 A. A. Vasilchenko

We use density-functional methods to study the effects of an external magnetic field on two-dimensional quantum dots with a rectangular hard-wall confining potential. The increasing magnetic field leads to spin polarization and formation of…

Strongly Correlated Electrons · Physics 2009-11-10 E. Räsänen , A. Harju , M. J. Puska , R. M. Nieminen

The density functional theory is used to study the electronic structure of a quantum wire in a magnetic field. The Kohn-Sham equations are solved numerically for different values of electron densities and filling factors. The critical…

Mesoscale and Nanoscale Physics · Physics 2023-06-16 A. A. Vasilchenko

Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…

Condensed Matter · Physics 2009-10-30 Marti Pi , Manuel Barranco , Agusti Emperador , Enrico Lipparini , Llorens Serra

A introduction into density-functional theory and electronic structure methods is given, that aims at providing an intuitive understanding of the underlying concepts for the novice as well as an entry point towards the more advanced…

Other Condensed Matter · Physics 2011-08-20 Peter E. Blöchl

We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…

Condensed Matter · Physics 2009-10-28 O. Heinonen , M. I. Lubin , M. D. Johnson

We study electronic structures of two-dimensional quantum dots in high magnetic fields using the density-functional theory (DFT) and the exact diagonalization (ED). With increasing magnetic field, beyond the formation of the totally…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. Saarikoski , A. Harju , M. J. Puska , R. M. Nieminen

We present a study of ground state energies and densities of quantum dots in a magnetic field, which takes into account correlation effects through the Current-density functional theory (CDFT). The method is first tested against exact…

Condensed Matter · Physics 2009-10-22 M. Ferconi , G. Vignale

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

Materials Science · Physics 2022-11-21 Yusuke Nomura , Ryosuke Akashi

We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…

Other Condensed Matter · Physics 2009-11-13 F. A. Reboredo , P. R. C. Kent

We present a density-functional theory (DFT) approach to the study of the phase diagram of the maximum density droplet (MDD) in two-dimensional quantum dots in a magnetic field. Within the lowest Landau level (LLL) approximation, analytical…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 M. Ferconi , G. Vignale

We study the ground state properties of rectangular quantum dots by using the spin-density-functional theory and quantum Monte Carlo methods. The dot geometry is determined by an infinite hard-wall potential to enable comparison to…

Strongly Correlated Electrons · Physics 2009-11-10 E. Räsänen , H. Saarikoski , V. N. Stavrou , A. Harju , M. J. Puska , R. M. Nieminen

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…

Computational Physics · Physics 2016-08-02 Jeffrey M. McMahon

We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…

Strongly Correlated Electrons · Physics 2009-11-11 G. Kotliar , S. Y. Savrasov , K. Haule , V. S. Oudovenko , O. Parcollet , C. A. Marianetti

The fractional quantum Hall effect remains a captivating area in condensed matter physics, characterized by strongly correlated topological order, which manifests as fractionalized excitations and anyonic statistics. Numerical simulations,…

Strongly Correlated Electrons · Physics 2025-10-27 Yi Yang , Yayun Hu , Zi-Xiang Hu

We construct a density functional theory for two-dimension electron (hole) gases subjected to both strong magnetic fields and external potentials. In particular, we are focused on regimes near even-denominator filling factors, in which the…

Strongly Correlated Electrons · Physics 2019-03-11 Yinhan Zhang , Junren Shi

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

Materials Science · Physics 2007-05-23 Werner A. Hofer , Krisztian Palotas

Recent photoabsorption measurements have revealed a rich fine structure in the collective charge-density excitation spectrum of few-electron quantum dots in the presence of magnetic fields. We have performed systematic computational studies…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 C. A. Ullrich , G. Vignale

Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…

Chemical Physics · Physics 2012-06-12 Hauke Paulsen , Alfred Xaver Trautwein

Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 K. Karkkainen M. Koskinen , S. M. Reimann , M. Manninen
‹ Prev 1 2 3 10 Next ›