Related references
Note: Only part of the references are listed.WIEN2k: An APW+lo program for calculating the properties of solids
Peter Blaha et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Study of the ground-state magnetic ordering, magnetic and optoelectronic properties of (Lenaite) AgFeS2 in its chalcopyrite structure
T. Djaafri et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2020)
Impact of iron composition on the calculated electronic and magnetic properties of Fe3-xNixSi
N. Mabrouk et al.
MOLECULAR PHYSICS (2019)
Magnetic ground state and pressure effect study on elasticity, electronic and magnetic properties of KUO3: DFT + U, GLLB-SC, mBJ and QTAIM investigations
A. Dorbane et al.
SOLID STATE SCIENCES (2019)
Pressure effect on mechanical, magnetic and optoelectronic properties of SrCoO3-Perovskite: FP-(L)APW plus lo investigation
S. Mokrane et al.
CHINESE JOURNAL OF PHYSICS (2019)
DFT plus U and QTAIM Studies of Elastic, Magnetic, Bonding, and Optoelectronic Behaviors of RbUO3
B. Boughoufala et al.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM (2019)
Rapid synthesis, microstructure, and thermoelectric properties of skutterudites
Ying Lei et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2019)
Study of magnetic and optoelectronic properties of BaCmO3-Cubic Perovskite after the estimation of Hubbard interaction and Hund's exchange parameters: GW and DFT plus U investigations
B. Sana et al.
OPTIK (2018)
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds`
Roberto A. Boto et al.
THEORETICAL CHEMISTRY ACCOUNTS (2017)
First principles study of the structural, elastic, electronic, optical and thermodynamic properties of SrRh2 laves phase intermetallic compound
Md. Ibrahim Kholil et al.
COMPUTATIONAL CONDENSED MATTER (2017)
Structural, elastic, electronic and thermodynamic investigations of neptunium chalcogenides: First-principles calculations
A. Benkabou et al.
CHINESE JOURNAL OF PHYSICS (2016)
Spin-polarization in filled-skutterudites LaFe4Pn12 (Pn = P, As and Sb)
A. H. Reshak
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2016)
Structural, electronic, elastic and thermodynamic properties of XFe4P12 (X = Tb and Dy) filled skutterudite using FP-LMTO method
Samir Mustapha Laoufi et al.
OPTIK (2016)
Investigations of structural, elastic, electronic and thermodynamic properties of lutetium filled skutterudite LuFe4P12 under pressure effect: FP-LMTO method
Keltouma Boudia et al.
MATERIALS SCIENCE-POLAND (2015)
Elastic constants of cubic crystals
M. Jamal et al.
COMPUTATIONAL MATERIALS SCIENCE (2014)
CRITIC2: A program for real-space analysis of quantum chemical interactions in solids
A. Otero-de-la-Roza et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
Necessary and sufficient elastic stability conditions in various crystal systems
Felix Mouhat et al.
PHYSICAL REVIEW B (2014)
Adsorption of Organic Molecules on Kaolinite from the Exchange-Hole Dipole Moment Dispersion Model
Erin R. Johnson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Revealing non-covalent interactions in solids: NCI plots revisited
Alberto Otero-de-la-Roza et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Julia Contreras-Garcia et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Revealing Noncovalent Interactions
Erin R. Johnson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Critic: a new program for the topological analysis of solid-state electron densities
A. Otero-de-la-Roza et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Density functional calculations on the charge-ordered and valence-mixed modification of YBaFe2O5
Christian Spiel et al.
PHYSICAL REVIEW B (2009)
Magnetic properties, electronic structure, and optical properties of the filled skutterudite BaFe4Sb12
Zheng-ze Cheng et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2008)
Universal elastic anisotropy index
Shivakumar I. Ranganathan et al.
PHYSICAL REVIEW LETTERS (2008)
Magnetism of filled skutterudites under high magnetic fields
T. Yamada et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Electrical and magnetic properties of the filled skutterudite Sm(Ru1-xOsx)4P12
Chihiro Sekine et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Dependence of weak-ferromagnetic transition in YbxFe4Sb12 single crystals on the filling ratio x
T. Ikeno et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Antiferromagnetic ordering in the filled skutterudite semiconductor CeOs4Sb12
K. Iwasa et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Strongly correlated electron phenomena in Pr-based filled skutterudite compounds
M. B. Maple et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Elastic properties of HoFe4P12 polycrystal
M. Yoshizawa et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Electronic band structures in LaRu4P12 and LaFe4P12 with modulated skutterudite structures
Katsuhiko Takegahara et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2007)
Electronic structure of rare-earth nitrides using the LSDA plus U approach: Importance of allowing 4f orbitals to break the cubic crystal symmetry
P. Larson et al.
PHYSICAL REVIEW B (2007)
Electrical and magnetic properties of new filled skutterudites LnFe4P12 (Ln = Ho, Er, Tm and Yb) and YRu4P12 with heavy lanthanide (including Y) prepared at high pressure
I Shirotani et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2005)
Charge order in magnetite.: An LDA+U study
GKH Madsen et al.
EUROPHYSICS LETTERS (2005)
High-pressure synthesis, electrical and magnetic properties of new filled skutterudites LnOs4P12 (Ln = Eu, Gd, Tb, Dy, Ho, Y)
K Kihou et al.
MATERIALS RESEARCH BULLETIN (2004)
Kondo effect, crystalline electric fields and itinerant magnetism in antimony-based filled skutterudites
R. Viennois et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2004)
Competition between Kondo effect and ferromagnetic interaction in skutterudite La1-xSmxFe4P12
N Takeda et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2004)
Magnetic and thermoelectric features of PryFe4-x(Ni, Co)xSb12
Ch. Paul et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2004)
Elastic behavior and 4f ground state of Pr ions in PrxLa1-xFe4P12
Y Nakanishi et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2004)
Optical properties of the filled skutterudites CeT4Sb12 (T= Fe, Ru, Os)
M. Matsunami et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2004)
Systematic high-pressure synthesis of new filled skutterudites with heavy lanthanide, LnFe4P12 (Ln = heavy lanthanide, including Y)
I Shirotani et al.
JOURNAL OF SOLID STATE CHEMISTRY (2003)
Anomalous transport properties in the filled skutterudites
H Sato et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2003)
Ab-initio calculation of the elastic constants and thermal expansion coefficients of Laves phases
B Mayer et al.
INTERMETALLICS (2003)
A classification of covalent, ionic, and metallic solids based on the electron density
P Mori-Sánchez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Electronic structure calculations of solids using the WIEN2k package for material sciences
K Schwarz et al.
COMPUTER PHYSICS COMMUNICATIONS (2002)
Observation of heavy electrons in the filled skutterudite PrFe4P12 via the de Haas-van Alphen effect
H Sugawara et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2001)
Magnetic and thermodynamic properties of Eu-filled skutterudites
E Bauer et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2001)
Share Paper
