The Kubo–Greenwood equation, in combination with the first-principles Korringa–Kohn–Rostoker coherent potential approximation (KKR-CPA) can be used to calculate DC residual resistivity of random alloys at T = 0 K. We implemented this method a multiple scattering theory based ab initio package, MuST, and applied it study high entropy alloy AlxCoCrFeNi as function x. calculated resistivities are ...

The cytoplasmic tails of the envelope proteins from multiple viruses are known to contain determinants that affect their fusogenic capacities. Here we report that specific residues in the cytoplasmic tail of the Nipah virus fusion protein (NiV-F) modulate its fusogenic activity. Truncation of the cytoplasmic tail of NiV-F greatly inhibited cell-cell fusion. Deletion and alanine scan analysis id...

Electronic structure and magnetic properties of RMnX (R = Abstract. Electronic structure calculations, using the charge and spin self-consistent Korringa-Kohn-X = Si, Ge) of the CeFeSi-type structure. The origin of their magnetic properties has been investigated emphasizing the role of the Mn sublattice. The significant influence of the Mn-Mn and Mn-X interatomic distances on the Mn magnetic mo...

The impact of an applied electric field on the exchange coupling parameters has been investigated based first-principles electronic structure calculations by means KKR Green function method. have performed for a Fe film, free-standing and deposited two different substrates, having 1 monolayer (ML) thickness to minimize effect screening typical metallic systems. By comparing results ML with thos...

Using the photonic analogue of the Korringa-Kohn-Rostocker (KKR) method, the spectrum of electromagnetic waves in a three-dimensional fcc lattice of homogeneous dielectric spheres with various dielectric contrast is analyzed. We confirm the main features of the spectrum obtained by the plane wave method, namely that for a sufficiently high dielectric contrast a full gap opens in the spectrum be...

The electronic structure of nitrogen atoms as impurities in an ionic T i0 2 crystal has been investigated by analyzing electric field gradients (EFGs) measured by use of short-lived /3-emitting N implanted following nuclear reactions. Conventional ß-NMR and its modification, suitable for the detection of quadrupole effects in the NMR spectra, were used for the investigation of hyperfine interac...

1EEE Department, KKR & KSR Institute of Technology and Sciences,Guntur,AP,India 2Department of EEE, University college of Engineering, JNTU Kakinada, AP,India 3Department of EEE, KL University, Vaddeswaram, AP,India --------------------------------------------------------------------**--------------------------------------------------------------------Abstract This paper proposes a novel predic...

Multiple-wave Diffraction Anomalous Fine Structure (MDAFS), a new method combining the X-ray multiple-wave diffraction with diffraction anomalous fine structure (DAFS) technique, provides the long-range order structure information by measuring the multiple-wave diffraction profiles in the vicinity of an absorption edge. The real part of dispersion correction and fine structure function can be o...

This study presents the effect of local electronic correlations on the Heusler compounds Co2Mn1−xFexSi as a function of the concentration x. The analysis has been performed by means of first-principles band-structure calculations based on the local approximation to spin-density functional theory (LSDA). Correlation effects are treated in terms of the Dynamical Mean-Field Theory (DMFT) and the L...