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Theoretical approaches to x-ray absorption fine structureSystematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systemsFirst-principles calculation of the magnetocrystalline anisotropy energy of iron, cobalt, and nickelHigh-pressure metallic phases of boron.Electronic structure calculations with dynamical mean-field theoryElectronic Structure of the Perovskite Oxides: La 1 − x Ca x MnO 3Stability of a new cubic monoxide of Thorium under pressure.High-pressure melting temperatures of uranium: Laser-heating experiments and theoretical calculations.Cohesive properties and electronic structure of Heusler L21-phase compounds Ni2XAl (X=Ti, V, Zr, Nb, Hf, and Ta).Hybridized nearly-free-electron tight-binding-bond approach to interatomic forces in disordered transition-metal alloys. I. Theory.Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal.Crystallographic input data for (001)-, (110)- and (111)-oriented superlattices.Crystal structure and magnetic properties of a new layered sodium nickel hydroxide phosphate, Na2Ni3(OH)2(PO4)2.Magnetic remanence in single atoms.A Minimal tight-binding model for ferromagnetic canted bilayer manganites.Dirac surface states and nature of superconductivity in Noncentrosymmetric BiPdCrystal structure, chemical bonding and magnetism studies for three quinary polar intermetallic compounds in the (Eu(1-x)Ca(x))9In8(Ge(1-y)Sn(y))8 (x = 0.66, y = 0.03) and the (Eu(1-x)Ca(x))3In(Ge(3-y)Sn(1+y)) (x = 0.66, 0.68; y = 0.13, 0.27) phasesMagnetoresistance in the Spin-Orbit Kondo State of Elemental Bismuth.Penta-zirconium copper tribismuthProbing the electronic properties of ternary A n M3n-1B2n (n = 1: A = Ca, Sr; M = Rh, Ir and n = 3: A = Ca, Sr; M = Rh) phases: observation of superconductivityEffect of nematic ordering on electronic structure of FeSeMicroscopic description of insulator-metal transition in high-pressure oxygen.Modeling asymmetric cavity collapse with plasma equations of state.Theoretical screening of intermetallic ThMn12-type phases for new hard-magnetic compounds with low rare earth content.Grown from lithium flux, the ErCo5Si(3.17) silicide is a combination of disordered derivatives of the UCo5Si3 and Yb6Co30P19 structure types.Selective orbital reconstruction in tetragonal FeS: A density functional dynamical mean-field theory study.Cationic Site-Preference in the Yb14-xCaxAlSb11 (4.81 ≤ x ≤ 10.57) Series: Theoretical and Experimental Studies.Sequential cobalt magnetization collapse in ErCo2: beyond the limits of itinerant electron metamagnetism.Tm2.22Co6Sn20 and TmLi2Co6Sn20 stannides as disordered derivatives of the Cr23C6 structure type.Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids.High-pressure study of binary thorium compounds from first principles theory and comparisons with experiment.LiSr2(NCN)I3: the first empty tetrahedral strontium(II) entity coordinated by carbodiimide units but without strontium-strontium bonding.Band gap engineering of In(Ga)N/GaN short period superlattices.Schottky-barrier height and electronic structure of the Si interface with metal silicides: CoSi2, NiSi2, and YSi2.Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te.Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials.Linearized-augmented-plane-wave method with Car-Parrinello scaling.Projector-basis technique and Car-Parrinello scaling in mixed-basis, linearized-augmented-plane-wave, and extended linearized-augmented-plane-wave electronic-structure methods.Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K.Density-matrix based determination of low-energy model Hamiltonians from ab initio wavefunctions.
P2860
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P2860
description
im Oktober 1975 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 1975
@uk
name
Linear methods in band theory
@en
Linear methods in band theory
@nl
type
label
Linear methods in band theory
@en
Linear methods in band theory
@nl
prefLabel
Linear methods in band theory
@en
Linear methods in band theory
@nl
P356
P1433
P1476
Linear methods in band theory
@en
P2093
O. Krogh Andersen
P304
P356
10.1103/PHYSREVB.12.3060
P407
P577
1975-10-15T00:00:00Z