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The dielectric function of the wide-gap optical material HfO2 is investigated by the local density approximation (LDA) +U approach. We focus on the origin of the shoulder-like structure near the edge of the band gap in the imaginary part of…

Materials Science · Physics 2016-01-06 Jinping Li , Songhe Meng , Liyuan Qin , Hantao Lu , Takami Tohyama

The transport properties and optical transmittance and absorption spectra for the nostoichiometric amorphous Indium Gallium Zinc Oxide (a-IGZO) films with Gallium and Zinc deficiencies are investigated. The resistivity and carrier…

Materials Science · Physics 2022-01-21 Xin Zhu , Yang Yang , Xin-Dian Liu , Zhi-Qing Li

An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the many-body electronic problem here resembles…

Computational Physics · Physics 2018-12-03 Thomas Pope , Werner Hofer

By means of density functional theory the electronic structure of the MgB2 superconductor was characterised and compared with that of the related iso-structural systems: AlB2, ZrB2, NbB2, and TaB2. Using the full-potential linearized…

Superconductivity · Physics 2009-11-07 Pablo de la Mora , Miguel Castro , Gustavo Tavizon

Tunneling between two parallel, two-dimensional electron gases (2DEGs) in a complex oxide heterostructure containing a large, mobile electron density of ~ 3x10^14 cm^-2 is used to probe the subband structure of the 2DEGs.…

Mesoscale and Nanoscale Physics · Physics 2013-11-26 Santosh Raghavan , S. James Allen , Susanne Stemmer

The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…

Materials Science · Physics 2025-12-02 Szymon Błazucki , Junfeng Qiao , Nicola Marzari

We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…

Materials Science · Physics 2021-09-22 Qunfei Zhou , Bukuru Anaclet , Trevor Steiner , Michele Kotiuga , Pierre Darancet

A systematic and easy-to-use method is developed to calculate directly the doubly heavy hadron spectral density in the coordinate space. The correlation function is expressed in terms of hypergeometric functions, and the spectral density is…

High Energy Physics - Phenomenology · Physics 2012-08-31 Zhi-Wei Huang , Jueping Liu

Electromagnetic field in nuclear matter and nuclei are studied. In the nuclear matter, because the expectation value of the electric charge density operator is not zero, different in vacuum, the U(1) local gauge symmetry of electric charge…

Nuclear Theory · Physics 2009-11-07 Bao-Xi Sun , Xiao-Fu Lu , Peng-Nian Shen , En-Guang Zhao

We report precision measurements of the effective mass m* in high-quality bilayer graphene using the temperature dependence of the Shubnikov-de Haas oscillations. In the density range of 0.7 x 10^12/cm^2 < n < 4.1 x 10^12 /cm^2, both the…

Strongly Correlated Electrons · Physics 2011-08-24 K. Zou , X. Hong , J. Zhu

Measurements of the reflectivity of a 2-D electron gas are used to deduce the polarization of the Composite Fermion hole system formed for Landau level occupancies in the regime 1<\nu<2. The measurements are consistent with the formation of…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 R. Chughtai , V. Zhitomirsky , R. J. Nicholas , M. Henini

The Gaussian Effective Potential (GEP) is shown to be a useful variational tool for the study of the magnetic properties of strongly correlated electronic systems. The GEP is derived for a single band Hubbard model on a two-dimensional…

Strongly Correlated Electrons · Physics 2012-07-10 Luca Marotta , Fabio Siringo

The electronic structure of the $(2\sqrt{2}\times\sqrt{2})R45^{\circ}$ O/Cu(001) system has been calculated using locally self-consistent, real space multiple scattering technique based on first principles. Oxygen atoms are found to perturb…

Materials Science · Physics 2009-11-07 S. Stolbov , T. S. Rahman

The particle effective mass is often a challenging concept in solid state physics due to the many different definitions of the effective mass that are routinely used. Also, the most commonly used theoretical definition of the effective mass…

General Physics · Physics 2012-05-18 Viktor Ariel

The one-electron spectral-weight function of the half-filled ionic Hubbard model is calculated by means of Quantum Monte Carlo. A metallic regimen occurs between two values of the coupling constant (Hubbard U) U1 < U2 . The system is a band…

Strongly Correlated Electrons · Physics 2007-05-23 M. C. Refolio , J. M. Lopez Sancho , J. Rubio

A degenerate perturbation $k\cdot p$ approach for effective mass calculations is implemented in the all-electron density functional theory (DFT) package WIEN2k. The accuracy is tested on major group IVA, IIIA-VA, and IIB-VIA semiconductor…

Materials Science · Physics 2022-01-06 Oleg Rubel , Fabien Tran , Xavier Rocquefelte , Peter Blaha

We use microprobe Angle-Resolved Photoemission Spectroscopy (muARPES) to separately investigate the electronic properties of CuO2 planes and CuO chains in the high temperature superconductor, YBa2Cu4O8. In the CuO2 planes, a two dimensional…

Composite fermions (CFs), exotic quasi-particles formed by pairing an electron and an even number of magnetic flux quanta emerge at high magnetic fields in an interacting electron system, and can explain phenomena such as the fractional…

Mesoscale and Nanoscale Physics · Physics 2022-07-19 K. A. Villegas Rosales , P. T. Madathil , Y. J. Chung , L. N. Pfeiffer , K. W. West , K. W. Baldwin , M. Shayegan

The purpose of this work was to calculate the electronic band structure of Cd$_{1-x}$Fe$_x$Se. Ab-initio, calculations are performed in the Atomistix Toolkit program within the Density Functional Theory and Local Spin Density Approximation…

Materials Science · Physics 2025-06-24 Matanat A. Mehrabova , Elshad Allahyarov , Niyazi H. Hasanov , Nurana R. Gasimova

We introduce an approximate method which can be used to simulate the optical conductivity data of correlated multiband systems for normal and superconducting cases by taking advantage of a reverse process of a usual optical data analysis,…

Superconductivity · Physics 2016-03-07 Jungseek Hwang