Results 51 to 60 of about 18,341,611 (236)
, 2015 Employing virtual crystal approximation and super-cell methods for doping, we have performed a comparative study of the electronic structures of various doped BaFe$_2$As$_2$ materials by first principles simulations.
Ghosh, Haranath, Sen, Smritijit
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Embedded heterostructure epitaxy: A technique for two-dimensional thin-film definition [PDF]
, 1975 Selective multilayer epitaxial growth of GaAs-Ga1–xAlxAs through stripe openings in Al2O3 mask is reported. The technique results in prismatic layers of GaAs and Ga1–xAlxAs "embedded" in each other and leads to controllable uniform structures terminated ...
Gover, A. +3 more
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Crystal structures in generalized Skyrme model
, 2017 We investigate the properties of triply-periodic Skyrme crystals in the generalized Skyrme model $\mathcal{L}_6 + \mathcal{L}_4 + \mathcal{L}_2+ \mathcal{L}_0$ with higher-derivative terms up to sixth order.
Perapechka, Ilya, Shnir, Yakov
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Zeitschrift für Kristallographie - New Crystal StructuresC19H13CdI2N5O, triclinic, P 1‾ $\overline{1}$ (no. 2), a = 9.0045(7) Å, b = 9.6113(8) Å, c = 13.1285(12) Å, α = 80.395(3)°, β = 79.861(3)°, γ = 80.512(3)°, V = 1091.99(16) Å3, Z = 2, R gt(F) = 0.0544, wR ref(F 2) = 0.1446, T = 273 K.
Chen Honglin, Xiong Ying
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Molecular crystal global phase diagrams. II. Reference lattices [PDF]
, 2010 In the first part of this series [Keith et al. (2004). Cryst. Growth Des. 4, 1009-1012; Mettes et al. (2004). Acta Cryst. A60, 621-636], a method was developed for constructing global phase diagrams (GPDs) for molecular crystals in which crystal ...
Keith, J. Brandon, McClurg, Richard B.
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Finite Element simulation of radiation losses in photonic crystal fibers
, 2007 In our work we focus on the accurate computation of light propagation in finite size photonic crystal structures with the finite element method (FEM).
Burger, Sven +4 more
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npj Computational Materials, 2023 A desired prerequisite when performing a quantum mechanical calculation is to have an initial idea of the atomic positions within an approximate crystal structure. The atomic positions combined should result in a system located in, or close to, an energy
Adam Carlsson +2 more
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Solution Structures of \u3cem\u3eMycobacterium tuberculosis\u3c/em\u3e Thioredoxin C and Models of Intact Thioredoxin System Suggest New Approaches to Inhibitor and Drug Design [PDF]
, 2013 Here, we report the NMR solution structures of Mycobacterium tuberculosis (M. tuberculosis) thioredoxin C in both oxidized and reduced states, with discussion of structural changes that occur in going between redox states.
Cai, Sheng +3 more
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Bubble and Skyrmion Crystals in Frustrated Magnets with Easy-Axis Anisotropy [PDF]
, 2016 We clarify the conditions for the emergence of multiple-${\bf Q}$ structures out of lattice and easy-axis spin anisotropy in frustrated magnets. By considering magnets whose exchange interaction has multiple global minima in momentum space, we find that ...
Batista, Cristian D. +2 more
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Acta Crystallographica Section E: Crystallographic Communications, 2017 The complete molecules of the title compounds, N2,N5-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide, C18H16N6O2 (I), 3,6-dimethyl-N2,N5-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide, C20H20N6O2 (II), and N2,N5-bis(pyridin-4-ylmethyl)pyrazine-2,5 ...
Dilovan S. Cati, Helen Stoeckli-Evans
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