scholarly journals Half-metallic ferromagnets: From band structure to many-body effects

2008 ◽  
Vol 80 (2) ◽  
pp. 315-378 ◽  
Author(s):  
M. I. Katsnelson ◽  
V. Yu. Irkhin ◽  
L. Chioncel ◽  
A. I. Lichtenstein ◽  
R. A. de Groot
Keyword(s):  
Band Structure ◽  
Many Body ◽  
Half Metallic ◽  
Many Body Effects

ChemInform Abstract: Half-Metallic Ferromagnets: From Band Structure to Many-Body Effects

ChemInform ◽  
2009 ◽  
Vol 40 (10) ◽  
Author(s):  
M. I. Katsnelson ◽  
V. Yu. Irkhin ◽  
L. Chioncel ◽  
A. I. Lichtenstein ◽  
R. A. de Groot
Keyword(s):  
Band Structure ◽  
Many Body ◽  
Half Metallic ◽  
Many Body Effects

Band-Structure and Many-Body Effects in the Dynamical Response of Aluminum Metal

1995 ◽  
Vol 74 (4) ◽  
pp. 590-593 ◽  
Author(s):  
Andrzej Fleszar ◽  
Andrew A. Quong ◽  
Adolfo G. Eguiluz
Keyword(s):  
Band Structure ◽  
Dynamical Response ◽  
Many Body ◽  
Aluminum Metal ◽  
Many Body Effects

scholarly journals Band structure and many body effects in graphene

2007 ◽  
Vol 148 (1) ◽  
pp. 5-13 ◽  
Author(s):  
A. Bostwick ◽  
T. Ohta ◽  
J. L. McChesney ◽  
T. Seyller ◽  
K. Horn ◽  
...  
Keyword(s):  
Band Structure ◽  
Many Body ◽  
Many Body Effects

Cluster model and band structure calculations ofV2O5: ReducedV5+symmetry and many-body effects

2008 ◽  
Vol 77 (7) ◽  
Author(s):  
R. J. O. Mossanek ◽  
A. Mocellin ◽  
M. Abbate ◽  
B. G. Searle ◽  
P. T. Fonseca ◽  
...  
Keyword(s):  
Band Structure ◽  
Cluster Model ◽  
Many Body ◽  
Band Structure Calculations ◽  
Many Body Effects ◽  
Structure Calculations

scholarly journals Dominance of many-body effects over the one-electron mechanism for band structure doping dependence in Nd2−xCexCuO4: the LDA+GTB approach

2007 ◽  
Vol 19 (48) ◽  
pp. 486203 ◽  
Author(s):  
M M Korshunov ◽  
V A Gavrichkov ◽  
S G Ovchinnikov ◽  
I A Nekrasov ◽  
E E Kokorina ◽  
...  
Keyword(s):  
Band Structure ◽  
Many Body ◽  
Doping Dependence ◽  
Many Body Effects ◽  
The One

Electronic exchange-correlation, many-body effect issues on first-principles calculations of bulk SiC polytypes

2018 ◽  
Vol 32 (29) ◽  
pp. 1850328
Author(s):  
Kamel Demmouche ◽  
José Coutinho
Keyword(s):  
Dielectric Properties ◽  
Band Structure ◽  
First Principles ◽  
Basis Set ◽  
High Symmetry ◽  
Many Body ◽  
Exchange Correlation ◽  
Phonon Band ◽  
Many Body Effects ◽  
Good Agreement

The first-principles Projector-Augmented Wave method (PAW) is used to investigate the electronic, phonon band structure and dielectric properties of four bulk silicon carbide (SiC) polytypes. We employ PAW pseudopotential density functional theory with Perdew, Burke and Ernzerhof (PBE) and hybrid HSE06 approximations of the exchange-correlation functional. Many-body effects are incorporated using the GW approximation of the self-interaction to study SiC properties. GW method in its single-shot variant, which is based on the many-body perturbation theory (MBPT), is used to calculate the quasi-particle (QP) energies of the band structure and the dielectric properties for different polytypes. The electronic band structure determination within GW method uses the Wannier procedure where a basis set of maximally localized Wannier function (MLWF) is constructed to interpolate the QP energies of few regular mesh k-points to the high-symmetry lines in Brillouin zone. As a consequence of QP correction to the Kohn–Sham energies, bandgap is increased by upto 3 eV in case of 4H–SiC, as compared to PBE bandgap. GW results are comparable to those of hybrid functionals and are in good agreement with the experimental results. The optical properties are then studied within PBE, HSE06 and include many-body effects. In addition, the phonon band structure has been investigated within HSE06 and compared to previous PBE results. We found good agreement with the previous theoretical results and the experimental available data.

scholarly journals Interplay between many body effects and Coulomb screening in the optical bandgap of atomically thin MoS2

Nanoscale ◽  
2017 ◽  
Vol 9 (30) ◽  
pp. 10647-10652 ◽  
Author(s):  
Youngsin Park ◽  
Sang Wook Han ◽  
Christopher C. S. Chan ◽  
Benjamin P. L. Reid ◽  
Robert A. Taylor ◽  
...  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Optical Bandgap ◽  
Many Body ◽  
Electronic Band ◽  
2D System ◽  
Photoexcited Carrier ◽  
Many Body Effects ◽  
Excitonic Luminescence

Due to its unique electronic band structure and strong excitonic features, atomically thin MoS2 is an ideal 2D system where intriguing photoexcited-carrier-induced phenomena can be detected in excitonic luminescence.

Many-Body Effects on the Zero-Point Renormalization of the Band Structure

2014 ◽  
Vol 112 (21) ◽  
Author(s):  
G. Antonius ◽  
S. Poncé ◽  
P. Boulanger ◽  
M. Côté ◽  
X. Gonze
Keyword(s):  
Band Structure ◽  
Zero Point ◽  
Many Body ◽  
Many Body Effects
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