196 citations · 471 across the 13 of their papers we have counts for
13 papers
Magneto-Optical Functions at the 3p resonances of Fe, Co, and Ni: Ab-initio description and experiment
F. Willems, S. Sharma, C. v. Korff Schmising +7
We present theoretical and experimental data on the magneto-optical contributions to the complex refractive index in the extreme ultraviolet (XUV) range covering the 3p resonances…
Spectrum for non-magnetic Mott insulators from power functional within Reduced Density Matrix Functional Theory
Y. Shinohara, S. Sharma, S. Shallcross +3
A fully first principles theory capable of treating strongly correlated solids remains the outstanding challenge of modern day materials science. This is exemplified by the transit…
Demonstration of Optimal Control of Laser Induced Spin-Orbit Mediated Ultrafast Demagnetization
P. Elliott, K. Krieger, J. K. Dewhurst +2
Laser induced ultrafast demagnetization is the process whereby the magnetic moment of a ferromagnetic material is seen to drop significantly on a timescale of s of femtosec…
L1 stacked binaries as candidates for hard magnets: FePt, MnAl and MnGa
Yu-ichiro Matsushita, Galia Madjarova, C. Felser +3
A novel strategy of stacking binary magnets to enhance the magneto crystalline anisotropy is explored. This strategy is used in the search for hard magnets by studying FePt/MnGa an…
Bootstrap kernel for organic low dimensional systems; PPV, pentacene and picene
S. Sharma, J. K. Dewhurst, E. K. U. Gross
We apply the bootstrap kernel within time dependent density functional theory to study one-dimensional chain of organic polymer poly-phenylene-vinylene and molecular crystals of pi…
Spectral density and metal-insulator phase transition in Mott insulators within RDMFT
S. Sharma, J. K. Dewhurst, S. Shallcross +1
We present a method for calculating the spectrum of periodic solids within reduced density matrix functional theory. This method is validated by a detailed comparison of the angula…
Doping induced metal-insulator phase transition in NiO
Y. Shinohara, S. Sharma, J. K. Dewhurst +3
The insulator to metal phase transition in NiO is studied within the framework of reduced density matrix functional theory and density functional theory. We find that the spectral…
Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer
S. Sharma, J. K. Dewhurst, A. Sanna +2
It is demonstrated that the bootstrap kernel [\onlinecite{sharma11}] for finite values of crucially depends upon the matrix character of the kernel and gives results of t…
Ionization potentials and electron affinities from reduced density matrix functional theory
E. N. Zarkadoula, S. Sharma, J. K. Dewhurst +2
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the to…
Phononic Self energy effects and superconductivity in CaC
A. Sanna, S. Pittalis, J. K. Dewhurst +5
We study the graphite intercalated compound CaC by means of Eliashberg theory, focusing on the anisotropy properties. An analysis of the electron-phonon coupling is performed,…
Bootstrap approximation for the exchange-correlation kernel of time-dependent density functional theory
S. Sharma, J. K. Dewhurst, A. Sanna +1
A new parameter-free approximation for the exchange-correlation kernel of time-dependent density functional theory is proposed. This kernel is expressed as an algorith…
Anisotropic Exchange Interaction between Non-magnetic Europium Cations in Eu_2O_3
G. Concas, J. K. Dewhurst, A. Sanna +2
The electronic structure of the cubic and (high pressure) hexagonal phases of Eu2O3 have been investigated by mean of full potential linearized augmented plane wave calculations, w…
Spectrum of extended systems from Reduced Density Matrix Functional Theory
S. Sharma, S. Shallcross, J. K. Dewhurst +1
We present a method for calculating the spectrum of extended solids within reduced density matrix functional theory. An application of this method to the strongly correlated transi…