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Single-Layer Model of the Hexagonal Boron Nitride Nanomesh on the Rh(111) SurfaceBoron nitride nanomesh: functionality from a corrugated monolayerCluster nucleation and growth from a highly supersaturated adatom phase: silver on magnetiteUnraveling the structure of the h-BN/Rh(111) nanomesh with ab initio calculations.DFT Study of the Role of Al(3+) in the Fast Ion-Conductor Li7-3x Al(3+) x La3Zr2O12 Garnet.Reproducibility in density functional theory calculations of solids.Selective Area Band Engineering of Graphene using Cobalt-Mediated Oxidation.Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium TitanateDual role of CO in the stability of subnano Pt clusters at the Fe3O4(001) surface.Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water.How close are the Slater and Becke-Roussel potentials in solids?Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory.Theoretical investigation of the magnetic exchange interactions in copper(II) oxides under chemical and physical pressures.NMR Shielding in Metals Using the Augmented Plane Wave Method.Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide.Structural, spectroscopic, and computational studies on Tl4Si5O12: a microporous thallium silicate.Carbon monoxide-induced adatom sintering in a Pd-Fe3O4 model catalyst.NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations.Oxide Heterostructures for Efficient Solar CellsElectronic structure of solids with WIEN2kShort-range magnetic order and temperature-dependent properties of cupric oxideMultiple instabilities inBi4Ti3O12: A ferroelectric beyond the soft-mode paradigmComparison of empirical bond-valence and first-principles energy calculations for a complex structural instabilityAdvances in Structural Analysis of Fluoroaluminates Using DFT Calculations of27Al Electric Field Gradients27Al NMR experiments and quadrupolar parameter ab initio calculations: Crystallographic structure refinement of β-Ba3AlF9Temperature and composition dependence of crystal structures and magnetic and electronic properties of the double perovskitesLa2−xSrxCoIrO6(0≤x≤2)Mixed PbFBr1−xIx crystals: structural and spectroscopic investigationsFet2gband dispersion and spin polarization in thin films of Fe3O4(0 0 1)/MgO(0 0 1): Half-metallicity of magnetite revisitedElectronic quasiparticles and evolution of Fermi level spin states in thin magnetic layersTowards efficient band structure and effective mass calculations for III-V direct band-gap semiconductorsComment on “Taming multiple valency with density functionals: A case study of defective ceria”Ab initioperspective on the Mollwo-Ivey relation forFcenters in alkali halidesFcenter in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approachesElectronic structure of KCa2Nb3O10as envisaged by density functional theory and valence electron energy loss spectroscopyStructure and properties of CoMnSb in the context of half-metallic ferromagnetismComposite Behavior and Multidegeneracy in High-Pressure Phases of Cs and RbComputational Study of Ga NMR Shielding in Metallic GallidesComputational Study of Y NMR Shielding in Intermetallic Yttrium CompoundsFinite-strain Landau theory applied to the high-pressure phase transition of lead titanateInvestigation of the Optical and Excitonic Properties of the Visible Light-Driven Photocatalytic BiVO4 Material
P50
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P50
description
hulumtues
@sq
researcher
@en
ricercatore
@it
wetenschapper
@nl
հետազոտող
@hy
name
Peter Blaha
@ast
Peter Blaha
@en
Peter Blaha
@es
Peter Blaha
@nl
Peter Blaha
@sl
type
label
Peter Blaha
@ast
Peter Blaha
@en
Peter Blaha
@es
Peter Blaha
@nl
Peter Blaha
@sl
altLabel
P Blaha
@en
prefLabel
Peter Blaha
@ast
Peter Blaha
@en
Peter Blaha
@es
Peter Blaha
@nl
Peter Blaha
@sl
P214
P1053
F-2847-2010
P106
P21
P214
P2456
P31
P4012
P496
0000-0001-5849-5788
P734
P735
P7859
lccn-nb2011004796