This view restricts predictive theory to complex computational schemes, going beyond density functional theory (DFT). Here, we show that, if one allows symmetry-breaking energy-lowering crystal symmetry reductions and electronic instabilities within DFT, one successfully and systematically recovers the ...
The paper investigates the special role of the origin in the theory of orthonormal wavelets. x1. Introduction and Presentation of the Results. Each of the four authors has been involved in the construction of certain wavelets in order to exhibit particular properties of these functions. Standing...
Interfacial Negative Capacitance in Planar Perovskite Solar Cells: An Interpretation based on Band Theory The negative capacitance is a peculiar phenomenon frequently observed in electrochemical impedance spectroscopy(EIS) measurement for perovskite solar cells(PSCs). However, the origin and mechanism of the...
... origin of elements 元素起源origin of the universe宇宙起源original band 原(频)带 ... www.cps-net.org.cn|基于2个网页 2. 宇宙的起源 宇宙天文... ... Cytochrome C protein by chance? 细胞色素C蛋白是偶然的吗?Origin of the Universe宇宙的起源Physics 物理 … ...
The structural and electronic properties of AlN1−xPx semiconductors have been investigated from first principles within the density functional theory (DFT). An anomalously large bowing of calculated band-gaps was revealed in these materials. For low P contents x, in homogeneous atomic configurations...
The contributions from the three nonequivalent oxygen sites to the observed spectral anisotropy were elucidated by using FDMNES calculations in the framework of the multiple scattering theory. The role of relevant O and Ga orbitals in the linearly polarized O K-edge absorption was determined based ...
Supergene mimicry is a striking phenomenon but we know little about the evolution of this trait in any species. Here, by studying genomes of butterflies from a recent radiation in which supergene mimicry has been isolated to the gene doublesex, we show t
band can be triggered by the upper-band31(or vice versa32) via a nonlinear wave-wave coupling, but this theory cannot explain general cases in which the two bands have no correlation. It has been suggested that the upper- and lower-band chorus waves originate from two separate anisotropic ...
Analogy between Algebraic Geometry and Algebraic Number Theory definitions (Picard Group, Ramification index, etc) Number of complete binary unordered tree-factorizations of n Is it bad to ask for accommodations for disability when PhD supervisor might be in bereavement? Plot an infinite but conve...
We have investigated the valence, spin, and orbital state of the Co ions in the one-dimensional cobaltate Ca 3 Co 2 O 6 using x-ray absorption and x-ray m... T Burnus,Z Hu,MW Haverkort,... - 《Phys.rev.b》 被引量: 92发表: 2006年 Theory of Fano resonances in graphene: The ...