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Search for publications relevant for "first-principles calculations"
first-principles calculations
Publication
Class
Person
Publication
Programmes
publication
Magnetic properties of NdNi2B2C from first principles calculations
2005 |
Publication without faculty affiliation
publication
Electronic structure and magnetism of NpTAl (T = Co, Ni, Rh, Ir and Pt) and NpNiGa from first-principles calculations
2008 |
Faculty of Mathematics and Physics
publication
Electronic structure and magnetism of MnFeP1-xSix alloys from first-principles calculations
2008 |
Faculty of Mathematics and Physics
publication
First-principles calculations of magnetic properties of LuFe6Al6 and UFe6Al6
2010 |
Faculty of Mathematics and Physics
publication
Experimental Observations versus First-Principles Calculations for Ni-Mn-Ga Ferromagnetic Shape Memory Alloys: A Review
2022 |
Faculty of Mathematics and Physics
publication
Magnetic properties of NdNi2B2C from first principles calculations
2005 |
Faculty of Mathematics and Physics
publication
magnetic and magnetooptical properties of URhAl from first principle calculations
2000 |
Faculty of Mathematics and Physics
publication
Magnetic, magnetooptical and structural properties of URhAl from first-principles calculations
2001 |
Faculty of Mathematics and Physics
publication
First principles calculation of the crystal field splitting in rare earth borocarbides
2002 |
Publication without faculty affiliation
publication
First-principles Calculations of Crystal Field in Dioxides
1996 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
Are insulating LiF barriers relevant for spin-polarized tunnelling applications? Insights from first-principles calculations
2016 |
Faculty of Mathematics and Physics
publication
Advanced characterization of lithium battery materials with positrons
2017 |
Faculty of Mathematics and Physics
publication
Electronic Structure of Monolayer FeSe on Si(001) from First Principles
2022 |
Faculty of Mathematics and Physics
publication
An Ultrafast Conducting Polymer@MXene Positive Electrode with High Volumetric Capacitance for Advanced Asymmetric Supercapacitors
2020 |
Faculty of Science
publication
Magnetic and electronic properties of alpha-U2N3 and its role in preventing uranium from oxidation: First-principles studies
2018 |
Faculty of Science
publication
Position of segregated Al atoms and the work function: Experimental low energy electron diffraction intensity analysis and first-principles calculation of the (3×3)R30° superlattice phase on the (111) surface of a Cu–9 at. %Al alloy
2010 |
Faculty of Mathematics and Physics
publication
Robust Giant Magnetoresistance in 2D Van der Waals Molecular Magnetic Tunnel Junctions
2021 |
Faculty of Science
publication
Identifying Redox Orbitals and Defects in Lithium-Ion Cathodes with Compton Scattering and Positron Annihilation Spectroscopies: A Review
2022 |
Faculty of Mathematics and Physics
publication
Study of Rechargeable Batteries Using Advanced Spectroscopic and Computational Techniques
2021 |
Faculty of Mathematics and Physics
publication
A multiferroic material to search for the permanent electric dipole moment of the electron
2010 |
Faculty of Mathematics and Physics
publication
Mössbauer Spectroscopy of Triphylite (LiFePO4) at Low Temperatures
2019 |
Faculty of Mathematics and Physics
publication
First principles study on the local magnetic anisotropy near surfaces of Dy(2)Fe(14)B and Nd(2)Fe(14)B magnets
2011 |
Faculty of Mathematics and Physics
publication
Weakly anisotropic ferromagnet EuRu2P2: Ambient and hydrostatic pressure characterization
2021 |
Faculty of Mathematics and Physics
publication
Low-temperature magnetic phase diagram and specific heat of Nd2IrIn8
2016 |
Faculty of Mathematics and Physics
publication
First-principles study of the structural properties and magnetism of NpNiSn
2011 |
Faculty of Mathematics and Physics
publication
Ferroelectric phase transitions in multiferroic Ge1-xMnxTe driven by local lattice distortions
2016 |
Faculty of Mathematics and Physics
publication
Glassy magnetism of Tm2Cu2In in elevated pressures
2023 |
Faculty of Mathematics and Physics
publication
Improved generalized gradient approximation for positron states in solids
2014 |
Faculty of Mathematics and Physics
publication
Measurement of the Radiation Energy in the Radio Signal of Extensive Air Showers as a Universal Estimator of Cosmic-Ray Energy
2016 |
Faculty of Mathematics and Physics
publication
Lattice dynamics and coupled quadrupole-phonon excitations in CeAuAl3
2018 |
Faculty of Mathematics and Physics