Results 21 to 30 of about 2,510,089 (205)
Unfolding First-Principles Band Structures [PDF]
Physical Review Letters, 2010 A general method is presented to unfold band structures of first-principles super-cell calculations with proper spectral weight, allowing easier visualization of the electronic structure and the degree of broken translational symmetry. The resulting unfolded band structures contain additional rich information from the Kohn-Sham orbitals, and absorb the
Ku, Wei, Berlijn, Tom, Lee, Chi-Cheng
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X-band photonic band-gap accelerator structure breakdown experiment
Physical Review Special Topics. Accelerators and Beams, 2011 In order to understand the performance of photonic band-gap (PBG) structures under realistic high gradient, high power, high repetition rate operation, a PBG accelerator structure was designed and tested at X band (11.424 GHz). The structure consisted of
Roark A. Marsh +7 more
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BAND STRUCTURE CALCULATIONS OF GRAPHENE POLYTYPES
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2014 In this paper optimized structure of graphene layers L6, L3−12, L4−8, L4−6−12 and their band structure were calculated geometrically and by DFT.
E.A. Belenkov, A.E. Kochengin
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Band Structures of Plasmonic Polarons [PDF]
Physical Review Letters, 2015 Using state-of-the-art many-body calculations based on the `GW plus cumulant' approach, we show that electron-plasmon interactions lead to the emergence of plasmonic polaron bands in the band structures of common semiconductors. Using silicon and group IV transition metal dichalcogenide monolayers (AX2 with A=Mo,W and X=S,Se) as prototypical examples ...
Fabio Caruso +2 more
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Deformed Base Antisymmetrized Molecular Dynamics and its Application to ^{20}Ne [PDF]
, 2003 A new theoretical framework named as deformed base antisymmetrized molecular dynamics that uses the localized triaxially deformed Gaussian as the single particle wave packet is presented.
A. Ono +19 more
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Inorganics, 2022 This study explores the electronic properties of (C2H7N4O)2BiCl5 using the density functional theory (DFT) method, which was compared with the experimental data.
Hela Ferjani +5 more
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Band Structure of Topological Insulator BiSbTe1.25Se1.75
Scientific Reports, 2017 We present our angle resolved photoelectron spectroscopy (ARPES) and density functional theory results on quaternary topological insulator (TI) BiSbTe1.25Se1.75 (BSTS) confirming the non-trivial topology of the surface state bands (SSBs) in this compound.
H. Lohani +8 more
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BAND STRUCTURE OF NON-STEIOCHIOMETRIC LARGE-SIZED NANOCRYSTALLITES
Condensed Matter Physics, 2004 A band structure of large-sized (from 20 to 35nm) non-steichiometric nanocrystallites (NC) of the Si2-xCx (1.04 < x < 1.10) has been investigated using different band energy approaches and a modified Car-Parinello molecular dynamics structure ...
I.V.Kityk
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Chemosensors, 2023 Volatile organoamines are important industrial raw materials and chemicals. Long-term exposure to amines could be harmful to human health and even cause serious pollution.
Jiuyu Li +5 more
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Photonic band structure computations
Optics Express, 2001 We introduce a novel algorithm for band structure computations based on multigrid methods. In addition, we demonstrate how the results of these band structure calculations may be used to compute group velocities and effective photon masses. The results are of direct relevance to studies of pulse propagation in such materials.
Hermann, Daniel +3 more
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