caa a22 4500 445383143 CHVBK 20180317143023.0 cr unu---uuuuu 170323e20110701xx s 000 0 eng 10.1007/s10948-010-0839-0 doi (NATIONALLICENCE)springer-10.1007/s10948-010-0839-0 Superconducting State Parameters of MgB2: Ab Initio Study [Elektronische Daten] [Ashwani Kumar, D. Ojha] Harrison's first principle pseudopotential (HFPP) technique in conjunction with BCS theory and McMillan's formalism has been used for the investigation of superconducting state parameters viz., Coulomb pseudopotential μ ∗, electron-phonon coupling strength λ, SC transition temperature T C , interaction strength N 0 V, semi band gap Δ, energy or mass renormalization parameter Z 0 and isotope effect exponent δ. The ground state properties of MgB2 have also been calculated employing full-potential linearized augmented plane wave (FLAPW) method. This enables us to estimate the equilibrium values of bulk modulus and its pressure derivative through optimization of the crystal structure of the system. We have also described the total density of state (DOS) and the partial DOS (PDOS) around the Fermi energy. Springer Science+Business Media, LLC, 2010 BCS theory nationallicence Superconductivity nationallicence MgB2 nationallicence Density functional theory nationallicence Electronic density of states nationallicence Kumar Ashwani Department of Physics, Andhra Loyola College, 520008, Vijayawada, A.P., India aut Ojha D. Department of Physics, Andhra Loyola College, 520008, Vijayawada, A.P., India aut Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/5(2011-07-01), 1385-1391 1557-1939 24:5<1385 2011 24 10948 https://doi.org/10.1007/s10948-010-0839-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10948-010-0839-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Kumar Ashwani Department of Physics, Andhra Loyola College, 520008, Vijayawada, A.P., India aut NATIONALLICENCE 700 1- Ojha D. Department of Physics, Andhra Loyola College, 520008, Vijayawada, A.P., India aut NATIONALLICENCE 773 0- Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/5(2011-07-01), 1385-1391 1557-1939 24:5<1385 2011 24 10948 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer