scholarly journals Finite-size correction scheme for supercell calculations in Dirac-point two-dimensional materials

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
C. G. Rocha ◽  
A. R. Rocha ◽  
P. Venezuela ◽  
J. H. Garcia ◽  
M. S. Ferreira
Keyword(s):  
Dirac Point ◽  
Finite Size ◽  
Two Dimensional ◽  
Correction Scheme ◽  
Two Dimensional Materials ◽  
Size Correction ◽  
Finite Size Correction

First-principles study on optical spectra for the oxygen vacancy in lead tungstate crystal

2020 ◽  
Vol 13 (03) ◽  
pp. 2051011
Author(s):  
Yazhou Lu ◽  
Tingyu Liu ◽  
Qiuyue Li ◽  
Xun Xu ◽  
Xuping Jiao ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
First Principles ◽  
Density Functional ◽  
Finite Size ◽  
Lead Tungstate ◽  
Functional Theory ◽  
Electron Phonon Coupling ◽  
Correction Scheme ◽  
Size Correction ◽  
Finite Size Correction

Based on the first-principles, we simulated the spectral properties of PbWO4 (PWO) crystals with an oxygen vacancy. As density functional theory (DFT) underestimates the band gap, the band edge is modified by Heyd-Scuseria-Ernzerhof (HSE). Moreover, artificial interactions of the charged defect of oxygen vacancies with three different charges have been corrected by finite-size correction scheme (FNV). Finally, the optical properties are obtained containing electron–phonon coupling. The calculated absorption band peaks of the F and F[Formula: see text] centers at 1.7[Formula: see text]eV and 2.47[Formula: see text]eV agree well with the experimental value, respectively.

scholarly journals NUMERICAL STUDY OF CHARGE AND STATISTICS OF LAUGHLIN QUASIPARTICLES

1999 ◽  
Vol 14 (04) ◽  
pp. 537-557 ◽  
Author(s):  
HEIDI KJØNSBERG ◽  
JAN MYRHEIM
Keyword(s):  
Numerical Study ◽  
Finite Size ◽  
Expected Value ◽  
Wave Functions ◽  
Numerical Calculations ◽  
Filling Fraction ◽  
Slow Convergence ◽  
Berry Phases ◽  
Size Correction ◽  
Finite Size Correction

We present numerical calculations of the charge and statistics, as extracted from Berry phases, of the Laughlin quasiparticles, near filling fraction 1/3, and for system sizes of up to 200 electrons. For the quasiholes our results confirm that the charge and statistics parameter are e/3 and 1/3, respectively. For the quasielectron charge we find a slow convergence towards the expected value of -e/3, with a finite size correction for N electrons of approximately -0.13e/N. The statistics parameter for the quasielectrons has no well defined value even for 200 electrons, but might possibly converge to 1/3. The anyon model works well for the quasiholes, but requires singular two-anyon wave functions for modelling two Laughlin quasielectrons.

scholarly journals Finite-size correction in a disordered system: A new divergence

1995 ◽  
Vol 52 (5) ◽  
pp. 4860-4864 ◽  
Author(s):  
Somendra M. Bhattacharjee ◽  
Sutapa Mukherji
Keyword(s):  
Finite Size ◽  
Disordered System ◽  
System A ◽  
Size Correction ◽  
Finite Size Correction

A GLUON PLASMA GIANT RESONANCE AND COLOR-SINGLETNESS AT FINITE TEMPERATURE

1999 ◽  
Vol 14 (29) ◽  
pp. 2003-2010
Author(s):  
LINA PARIA ◽  
AFSAR ABBAS ◽  
M. G. MUSTAFA
Keyword(s):  
Finite Temperature ◽  
Giant Resonance ◽  
Finite Size ◽  
Gluon Plasma ◽  
System A ◽  
Size Correction ◽  
Finite Size Correction

By imposing the SU(3) color-singletness constraint on a gluonic system, a heavy gluon–plasma giant resonance is shown to arise at finite temperature. This is made possible through the proper incorporation of the finite size correction brought in by the color-singletness restriction.

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