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        Complex Chiral Colloids and Surfaces via High-Index Off-Cut Silicon

        McPeak, Kevin M.,van Engers, Christian D.,Blome, Mark,Park, Jong Hyuk,Burger, Sven,Gosá,lvez, Miguel A.,Faridi, Ava,Ries, Yasmina R.,Sahu, Ayaskanta,Norris, David J. American Chemical Society 2014 NANO LETTERS Vol.14 No.5

        <P>Silicon wafers are commonly etched in potassium hydroxide solutions to form highly symmetric surface structures. These arise when slow-etching {111} atomic planes are exposed on standard low-index surfaces. However, the ability of nonstandard high-index wafers to provide more complex structures by tilting the {111} planes has not been fully appreciated. We demonstrate the power of this approach by creating chiral surface structures and nanoparticles of a specific handedness from gold. When the nanoparticles are dispersed in liquids, gold colloids exhibiting record molar circular dichroism (>5 × 10<SUP>9</SUP> M<SUP>–1</SUP> cm<SUP>–1</SUP>) at red wavelengths are obtained. The nanoparticles also present chiral pockets for binding.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/nalefd/2014/nalefd.2014.14.issue-5/nl501032j/production/images/medium/nl-2014-01032j_0005.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/nl501032j'>ACS Electronic Supporting Info</A></P>

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        The study of electronic, elastic, magnetic and optical response of Zn1-xTixY (Y=S, Se) through mBJ potential

        Q. Mahmood,M. Hassan,M.A. Faridi,B. Sabir,G. Murtaza,Asif Mahmood 한국물리학회 2016 Current Applied Physics Vol.16 No.5

        To explore the structural, electronic, magnetic and optical properties of Zn1-xTixY (Y=S, Se) alloys, in the composition range 0 ≤ x ≤ 1, we have applied full-potential linearized augmented plane wave plus local orbital (FP-LAPW + lo) scheme, which is based on the density functional theory (DFT). Structural optimizations have been done in ferromagnetic (FM) and antiferromagnetic (AFM) phase by using Wu eCohen generalized gradient approximation (WC-GGA), whereas recently developed modified Becke and Johnson (mBJ) potential was employed to study electronic and optical properties. The lower value of ground state energy and negative enthalpy of formation confirm stability in the FM phase. Due to the spin polarization of electrons in the Ti-d orbital, origin of half-metallic ferromagnetism has been expressed by the calculated band structures, electronic density of states (DOS) and magnetic moments. We also have calculated the exchange splitting energy Dx (d), crystal field energy (DEcrystal = Et2g Eeg) and exchange constants (N0a and N0b). The negative value of exchange constant (N0b) and large splitting of 3d-states of Ti show that the down spin potential is more effective than up spin. Finally, the results of optical parameters such as complex dielectric constant ε (u), refractive index n (u), normal incident reflectivity R (u), absorption coefficient ɑ (u), optical conductivity s (u) and optical loss factor L (u) are discussed in the energy range 0e14 eV. Moreover, we have verified the Penn's model by showing the inverse relation between the static dielectric constant and the optical band gap. The direct relation between static dielectric constant and static refractive index has been observed by increasing the composition of Ti. The calculated parameters provide valuable theoretical information for optical and spintronics device applications.

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        First-principles investigation of structural, elastic, electronic and magnetic properties of Be0.75Co0.25Y (Y=S, Se and Te) compounds

        W. Tanveer,M.A. Faridi,N.A. Noor,Asif Mahmood,B. Amin 한국물리학회 2015 Current Applied Physics Vol.15 No.11

        We have theoretically investigated the structural, elastic, electronic and magnetic properties of Be0.75Co0.25Y (Y=S, Se and Te) alloys, in their zinc-blend phase. This study is carried out by using the fullpotential augmented plane wave plus local orbitals method within the density functional theory. Foe computing the exchange-correlation potential, the Wu and Cohen generalized gradient approximation is employed to calculate structural and elastic properties whereas the modified Becke and Johnson potential local density approximation is utilized to examine electronic and magnetic properties. By minimizing the total energy in paramagnetic (PM) and ferromagnetic (FM) phases, it is found the studied compounds are stable in FM structure. The mechanical behavior of the studied compounds is reported with the calculation of shear modulus, Young's modulus, and Poisson's ratio provides. Such mechanical aspects might be useful for the experimentalists to study the mechanical properties upon alloying BeY compounds with Co. We also compute electronic structures, density of states (total and partial), pdexchange splitting and magnetic moments. Moreover, bond nature is studied by estimating the spin polarized charge densities of Be0.75Co0.25Y (Y=S, Se and Te).

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