In‐plane coupling effect on absorption coefficients of InAs/GaAs quantum dots arrays for intermediate band solar cell

Coupled semiconductor quantum dot (QD) arrays emerged recently as promising structures for the next generation of high efficiency intermediate band solar cell (IBSC), because of their ability to facilitate the formation of minibands. The quantum coupling effect that exists between states in QDs in an array influences the electronic and optical properties of such structures. So far, great experimental and theoretical efforts have been devoted to study the vertically coupled QD arrays. We present here a method based on multi‐band k ⋅ p Hamiltonian combined with periodic boundary conditions, applied to predict the electronic and optical properties of InAs/GaAs QDs‐based lateral QD arrays. Formation of the intermediate band (IB) in all cases was achieved via delocalisation of the electron ground state (e0). We show that the IB in a laterally coupled QD‐IBSC is more robust against external electric field from the solar cell's pn junction than that in a vertically coupled arrangement. Because of symmetry of the QD array lattice and QD states itself, which are C_2v for the zinc blend QDs, the electronic and absorption structures were obtained via sampling throughout the reciprocal space in the first Brillouin zone of QD arrays. Copyright © 2014 John Wiley & Sons, Ltd.     

Synthesis and characterization of novel chelated dimethylamino lithium alkoxides: molecular structures of [1‐LiOC(C6H11)2‐2‐NMe2C6H4]2 and [1‐LiOCPh2CH2‐2‐NMe2C6H4]2

From the reaction of 1‐HOCPh₂‐2‐NMe₂C₆H₄ ( 1 ), 1‐HOC(C₆H₁₁)₂‐2‐NMe₂C₆H₄ ( 2 ) and 1‐HOCPh₂CH₂‐2‐NMe₂C₆H₄ ( 3 ) with n‐BuLi in diethyl ether, the solvent‐free chelated dimethylamino lithium alkoxides [1‐LiOCPh₂‐2‐NMe₂C₆H₄]₂ ( 4 ), [1‐LiOC(C₆H₁₁)₂‐2‐NMe₂C₆H₄]₂ ( 5 ) and [1‐LiOCPh₂CH₂‐2‐NMe₂C₆H₄]₂ ( 6 ) were obtained. The lithium alkoxides 4 – 6 were characterized by ¹H, ⁷Li, and ¹³C NMR spectroscopy. Crystal structure determinations of 5 and 6 were carried out. Compounds 5 and 6 are examples of structurally characterized solvent‐free chelated dimethylamino lithium alkoxides and 6 is a rare example of this type containing a seven‐membered ring. Copyright © 2002 John Wiley & Sons, Ltd.     

Solution of generalized shifted linear systems with complex symmetric matrices

We develop the shifted COCG method [R. Takayama, T. Hoshi, T. Sogabe, S.-L. Zhang, T. Fujiwara, Linear algebraic calculation of Green’s function for large-scale electronic structure theory, Phys. Rev. B 73 (165108) (2006) 1–9] and the shifted WQMR method [T. Sogabe, T. Hoshi, S.-L. Zhang, T. Fujiwara, On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems, Electron. Trans. Numer. Anal. 31 (2008) 126–140] for solving generalized shifted linear systems with complex symmetric matrices that arise from the electronic structure theory. The complex symmetric Lanczos process with a suitable bilinear form plays an important role in the development of the methods. The numerical examples indicate that the methods are highly attractive when the inner linear systems can efficiently be solved.     

An extension of the conjugate residual method to nonsymmetric linear systems

The Conjugate Gradient (CG) method and the Conjugate Residual (CR) method are Krylov subspace methods for solving symmetric (positive definite) linear systems. To solve nonsymmetric linear systems, the Bi-Conjugate Gradient (Bi-CG) method has been proposed as an extension of CG. Bi-CG has attractive short-term recurrences, and it is the basis for the successful variants such as Bi-CGSTAB. In this paper, we extend CR to nonsymmetric linear systems with the aim of finding an alternative basic solver. Numerical experiments show that the resulting algorithm with short-term recurrences often gives smoother convergence behavior than Bi-CG. Hence, it may take the place of Bi-CG for the successful variants.     

Synthesis and Spectroscopic Properties of PdII and PtII Complexes with Monosulfide and Monoselenide Bis(phosphanyl)amine Ligands

Oxidation of N,N‐bis(diphenylphosphanyl)naphthalen‐1‐amine ( 1 ) with elemental sulfur or gray selenium (1:1 molar ratio) gave the corresponding monosulfide and monoselenide bis(phosphanyl)amine ligands C₁₀H₇‐1‐N(P(E)Ph₂)(PPh₂) [E = S ( 2 ), Se ( 3 )], respectively. Reactions of 2 and 3 with MCl₂(cod) (M = Pd, Pt) afforded [MCl₂{ 2 ‐κ²P,S}] [M = Pd( 4 ), Pt( 5 )] and [MCl₂{ 3 ‐κ²P,Se}] [M = Pd( 6 ), Pt( 7 )], respectively. In contrast, reactions of the same ligands with NiCl₂(PPh₃)₂ resulted in deselenization and desulfurization, producing complex 8 with the formula [NiCl₂{1‐κ²P,P}]. Ligands 2 and 3 , as well as their complexes 4 – 7 and 8 were identified and characterized by multinuclear NMR (¹H, ¹³C, ³¹P, and ⁷⁷Se NMR) spectroscopy, elemental analysis, and IR spectroscopy. Additionally, the molecular structure of 8 was obtained.     

Alcohol adducts of zinc dichloride: Molecular structure of [ZnCl2(THF){1-HOC(C6H11)2-2-NMe2C6H4}]

The aminoalcohols 1-HOCR₂-2-NMe₂C₆H₄ [R = Ph (1), R = C₆H₁₁ (2)] and 1-HOCPh₂CH₂-2-NMe₂C₆H₄ (3) react with ZnCl₂ in tetrahydrofuran to give the alcohol adducts [ZnCl₂(THF){1-HOCR₂-2-NMe₂C₆H₄}] [R = Ph (4), R = C₆H₁₁ (5)] and [ZnCl₂(THF){1-HOCPh₂CH₂-2-NMe₂C₆H₄}] (6). The complexes 4–6 were characterized by ¹H and ¹³C NMR spectroscopy, and 5 was also structurally characterized by X-ray crystallography.     

Synthesis,Characterization, and Structures of Palladium(II) and Platinum(II) Complexes Containing N,N‐Bis(diphenylphos­phanyl)Naphthylamine

The reaction of 1‐naphthylamine with two equivalents of chlorodiphenylphosphine in the presence of triethylamine gave the ligand C₁₀H₇‐1‐N(PPh₂)₂ ( 1 ). Reaction of 1 with PdCl₂(CH₃CN)₂ or PtCl₂(cod) (1:1 molar ratio) afforded the complexes cis‐[PdCl₂{C₁₀H₇‐1‐N(PPh₂)₂}] ( 2 ) and cis‐[PtCl₂{C₁₀H₇‐1‐N(PPh₂)₂}] ( 3 ), respectively. Compounds 1 – 3 were identified and characterized by multinuclear NMR (¹H, ¹³C, ³¹P NMR) and IR spectroscopy. Crystal structure determinations of complexes 2 and 3 were carried out.     

Synthesis,X-ray Structures,and Photoluminescence of the Octahedral Cu4I4 Cluster with Bulky Bidentate Bis(phosphanyl)amine Ligand

The reaction of C₁₀H₇-1-N(PPh₂)₂ ( 1 ) with two equivalents of CuI in acetonitrile resulted in the formation of octahedron Cu₄I₄[ 1 ]₂ complex ( 2 ). The crystal structure of 2 showed it adopted a rare octahedral arrangement. The rectangular Cu₄ plane is μ⁴-capped by two of the iodides and is placed in axial positions above and below the Cu₄-plane form an octahedron, whereas the other two iodides are bonded to two copper atoms in a μ²-fashion. The luminescence of complex 2 arises from a triplet halide-to-ligand charge transfer (³XLCT) excited state and ³CC (Cu₄I₄ cluster-centered) excited state are not involved in the luminescence by the rigid bidentate ligand 1 in spite of the short Cu^I–Cu^I bond length. Complex 2 was identified and characterized by multinuclear NMR (¹H, ¹³C, ³¹P NMR) and IR spectroscopy. Crystal structure determinations of 1 and 2 were carried out.     

Fast block diagonalization of k-tridiagonal matrices

In the present paper, we give a fast algorithm for block diagonalization of k-tridiagonal matrices. The block diagonalization provides us with some useful results: e.g., another derivation of a very recent result on generalized k-Fibonacci numbers in [M.E.A. El-Mikkawy, T. Sogabe, A new family of k-Fibonacci numbers, Appl. Math. Comput. 215 (2010) 4456-4461]; efficient (symbolic) algorithm for computing the matrix determinant.