Results 71 to 80 of about 2,510,089 (205)

Electronic band structure and Fermi surface of Ag$_5$Pb$_2$O$_6$ [PDF]

, 2005
We present electronic band structure of Ag$_5$Pb$_2$O$_6$ with layered hexagonal structure containing one-dimensional chains and two-dimensional Kagom\'{e} layers of silver.
I. Terasaki, Tamio Oguchi, Y. Tokura
core   +1 more source

Coulomb correlation effects in zinc monochalcogenides

, 2006
Electronic structure and band characteristics for zinc monochalcogenides with zinc-blende- and wurtzite-type structures are studied by first-principles density-functional-theory calculations with different approximations.
A. Kjekshus, B. G. Svensson, Blaha P., Bragg W. H., H. Fjellvåg, Hellwege K.-H., Hellwege K.-H., Hellwege K.-H., Madelung O., P. Ravindran, S. Zh. Karazhanov, Thomas D. G., Tomashik V. N., U. Grossner, Weast R. C., Weber M. J.   +15 more
core   +1 more source

Multiband effective bond-orbital model for nitride semiconductors with wurtzite structure

, 2010
A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots.
Daniel Mourad, Gerd Czycholl, P. Michler, Stefan Barthel   +3 more
core   +1 more source

Pathway to oxide photovoltaics via band-structure engineering of SnO

, 2016
The prospects of scaling current photovoltaic technologies to terawatt levels remain uncertain. All-oxide photovoltaics could open rapidly scalable manufacturing routes, if only oxide materials with suitable electronic and optical properties were ...
Bikowski, Andre, Lany, Stephan, Peng, Haowei, Zakutayev, Andriy   +3 more
core   +2 more sources

Effects of La-N Co-Doping of BaTiO₃ on Its Electron-Optical Properties for Photocatalysis: A DFT Study

Molecules
In cation–anion co-doping, rare earth elements excel at regulating the electronic structure of perovskites, leading to their improved photocatalytic performance. In this regard, the impact of co-doping rare earth elements at the Ba and Ti sites in BaTiO3
Yang Wang, Qinyan Zhou, Qiankai Zhang, Yuanyang Ren, Kunqi Cui, Chuanhui Cheng, Kai Wu   +6 more
doaj   +1 more source

First Principles Calculation of Electronic Structure of Doped Monolayer MoS₂

Cailiao gongcheng, 2016
Based on the first principle, the bond length, band structures and density of states of Cu, Ag and Au doped monolayer MoS2 were studied. The effects of Cu, Ag and Au doped on the monolayer MoS2 electronic structure were discussed.
FU Chun-ping
doaj   +1 more source

Effect of the tetrahedral distortion on the electronic properties of iron-pnictides

, 2008
We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the density of ...
B Valenzuela, Bauer E D Ronning F Scott B L Thompson J D, Daghofer M Moreo A Riera J A Arrigoni E Dagotto E, Dong J, E Bascones, Harrison W A, Hsu F-C Luo J Y Yeh K-W Chen T-K Huang T-W Wu P M Lee Y-C Huang Y-L Chu Y-Y Yang D-C Wu M-K, Kasperkiewicz K Bos J-W G Fitch A Prassides K Margadonna S, Klimczuk T McQueen T M Williams A J Huang Q Ronning F Bauer E D Thompson J D Green M A Cava R J, M J Calderón, Ma F Lu Z-Y Xiang T, Pitcher M J Parker D R Adamson P Herkelrath S J C Boothroyd A T Clarke S J, Ran Y Wang F Zhai H Vishwanath A Lee D-H, Shorikov A Korotin M Streltsov S Skornyakov S Korotin D Anisimov V, Stanescu T Galitski V Das Sarma S, Wan Y Wang Q-H, Yao Z-J Li J-X Wang Z D, Yildirim T, Zhu X Han F Cheng P Mu G Shen B Wen H-H   +18 more
core   +1 more source

Cluster structures in $^{11}$B

, 2012
Structures of excited states in $^{11}$B are investigated with a method of $\beta$-$\gamma$ constraint antisymmetrized molecular dynamics in combination with the generator coordinate method.
Tadahiro Suhara, Y. Fukushima, Yoshiko Kanada-En'yo   +2 more
core   +1 more source

Density Functional Investigation of [001] and [111] SiNWs and the Effect of Doping with Boron and Phosphorus

Crystals
In the present study, we investigate the influence of boron (B) and phosphorus (P) (p- and n-type, respectively) doping on the electronic properties of ultra-thin silicon nanowires (SiNWs) by gradient-corrected density functional calculations with the ...
Nedhal Ali Mahmood Al-Nuaimi, Florian Hilser, Sibylle Gemming   +2 more
doaj   +1 more source

Quasiparticle states of the Hubbard model near the Fermi level

, 2006
The spectra of the t-U and t-t'-U Hubbard models are investigated in the one-loop approximation for different values of the electron filling. It is shown that the four-band structure which is inherent in the case of half-filling and low temperatures ...
A. A. Abrikosov, A. Sherman, A.-M. S. Tremblay, M. I. Vladimir, M. M. Korshunov, R. Kubo, R. O. Zaitsev, R. O. Zaitsev, S. G. Ovchinnikov, S. I. Vakaru, Yu. A. Izyumov   +10 more
core   +1 more source