129 citations · 1.1k across the 70 of their papers we have counts for
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Friedel oscillations responsible for stacking fault of adatoms: The case of Mg(0001) and Be(0001)
Marisol Alcántara Ortigoza, Maral Aminpour, Talat S. Rahman
We perform a first-principles study of Mg adatom and adislands on the Mg(0001) surface, and Be adatom on Be(0001), to obtain further insights into the previously reported energetic…
Nonadiabatic exchange-correlation kernel for strongly correlated materials
Volodymyr Turkowski, Talat S. Rahman
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequ…
Tuning plasmon excitations in pure and transition metal-doped arrays of noble metal nanochains
Neha Nayyar, Volodymyr Turkowski, Talat S. Rahman
We study the plasmonic properties of coupled noble-metal nanochains in the case of different number of coupled chains and doping by different transition-metal (TM) atoms within the…
Ab initio lattice dynamics and electron-phonon coupling of Bi(111)
M. Alcántara Ortigoza, I. Yu. Sklyadneva, R. Heid +4
We present a comprehensive ab initio study of structural, electronic, lattice dynamical and electron-phonon coupling properties of the Bi(111) surface within density functional per…
Magnetic anisotropy of FePt nanoparticles
Alamgir Kabir, Jun Hu, Volodymyr Turkowski +2
We carry out a systematic theoretical investigation of Magneto Crystalline Anisotropy (MCA) of L10 FePt clusters with alternating Fe and Pt planes along the (001) direction. We cal…
Time-dependent density-matrix functional theory for trion excitations: application to monolayer MoS2
Alfredo Ramirez-Torres, Volodymyr Turkowski, Talat S. Rahman
We study possible optically excited bound states in monolayer MoS2: excitons and trions. For this purpose we formulate and apply a generalized time-dependent density-matrix functio…