21 citations · 109 across the 11 of their papers we have counts for
12 papers
Type-I superconductivity in a quasi-2D topologically nontrivial YbBi
Karolina Górnicka, Sudip Malick, Joanna Bławat +13
Intrinsic superconductivity in stoichiometric materials with nontrivial electronic topology remains uncommon, limiting opportunities to investigate how these two phenomena coexist…
Automated calculations of exchange magnetostriction
P. Nieves, S. Arapan, S. H. Zhang +3
We present a methodology based on deformations of the unit cell that allows to compute the isotropic magnetoelastic constants, isotropic magnetostrictive coefficients and spontaneo…
MAELAS 2.0: A new version of a computer program for the calculation of magneto-elastic properties
P. Nieves, S. Arapan, S. H. Zhang +3
MAELAS is a computer program for the calculation of magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way…
Photoemission signature of momentum-dependent hybridization in CeCoIn
R. Kurleto, M. Fidrysiak, L. Nicolaï +14
Hybridization between electrons and conduction bands (- hybridization) is a driving force for many unusual phenomena. To provide insight into it, systematic studies of Ce…
MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach
P. Nieves, S. Arapan, S. H. Zhang +3
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automate…
Metallization of solid molecular hydrogen in two dimensions: Mott-Hubbard-type transition
Andrzej Biborski, Andrzej P. Kądzielawa, Józef Spałek
We analyze the pressure-induced metal-insulator transition in a two-dimensional vertical stack of molecules in x-y plane, and show that it represents a striking example of th…
Dot-ring nanostructure: Rigorous analysis of many-electron effects
Andrzej Biborski, Andrzej P. Kądzielawa, Anna Gorczyca-Goraj +3
We discuss the quantum dot-ring nanostructure (DRN) as canonical example of a nanosystem, for which the~interelectronic interactions can be evaluated exactly. The system has been s…
Discontinuous transition of molecular-hydrogen chain to the quasi-atomic state: Exact diagonalization - ab initio approach
Andrzej P. Kądzielawa, Andrzej Biborski, Józef Spałek
We obtain in a direct and rigorous manner a transition from a stable molecular hydrogen single chain to the quasiatomic two-chain state. We devise an original method c…
Combined shared and distributed memory ab-initio computations of molecular-hydrogen systems in the correlated state: process pool solution and two-level parallelism
Andrzej Biborski, Andrzej P. Kądzielawa, Józef Spałek
An efficient computational scheme devised for investigations of ground state properties of the electronically correlated systems is presented. As an example, chain is…
Metallization of atomic solid hydrogen within the extended Hubbard model with renormalized Wannier wave functions
Andrzej P. Kądzielawa
We refer to our recent calculations (Eur. Phys. J. B, \textbf{86}, 252 (2013)) of metallization pressure of the three-dimensional simple-cubic crystal of atomic hydrogen and study…
and molecules with an ab initio optimization of wave functions in correlated state: Electron-proton couplings and intermolecular microscopic parameters
Andrzej P. Kądzielawa, Agata Bielas, Marcello Acquarone +3
The hydrogen molecules and are analyzed with electronic correlations taken into account between the electrons exactly. The optimal single-particle Slater orbit…
Extended Hubbard model with renormalized Wannier wave functions in the correlated state III: Statistically consistent Gutzwiller approximation and the metallization of atomic solid hydrogen
Andrzej P. Kądzielawa, Jozef Spałek, Jan Kurzyk +1
We extend our previous approach (Eur. Phys. J. B, \textbf{74}, 63(2010)) to modeling correlated electronic states and the metal-insulator transition by applying the so-called \emph…