Results 141 to 150 of about 14,019 (244)

GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.

open access: yes, 2012
We investigate the quasiparticle band structure of anatase TiO(2), a wide gap semiconductor widely employed in photovoltaics and photocatalysis. We obtain GW quasiparticle energies starting from density-functional theory (DFT) calculations including ...
Patrick, CE   +2 more
core   +1 more source

Pressure evolution of magnetic structure and quasiparticle excitations in anisotropic frustrated zigzag chains

open access: yesCommunications Materials
Frustrated magnetic systems with anisotropic exchange interactions have been recognized as key platforms for discovering exotic quantum states and quasiparticles.
Fumiya Hori   +5 more
doaj   +1 more source

Quasiparticle band structure of silicon carbide polytypes

open access: yes, 1995
The ab initio pseudopotential method within the local-density approximation and the quasiparticle approach have been used to investigate the electronic excitation properties of hexagonal (6H, 4H, 2H) and zinc-blende (3C) silicon carbide.
Friedhelm Bechstedt   +3 more
core  

Quasiparticle wave function and its equation of motion

open access: yes
The quasiparticle wave function of a many-electron system is traditionally defined as the eigenfunction of the quasiparticle eigenvalue equation involving the self-energy.
Karlsson, K.   +2 more
core   +1 more source

Solvable models for non-quasiparticle transport

open access: yes, 2018
Berg, Erez. (2018). Solvable models for non-quasiparticle transport.
Berg, Erez
core  

GW quasiparticle band structure of BaSe

open access: yes, 2006
The electron structure of barium's VIB compound is not clearly known yet. The main problem is that riot only the band gap calculated by using DFT (density functional theory) has a large discrepancy compared with experimental results, but also the ...
Lu, T. Y.   +3 more
core  

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