651 citations
- Bielefeld UniversityDE49 papers
- Hochschule OsnabrückDE31 papers
- Forschungszentrum JülichDE29 papers
- Charles UniversityCZ25 papers
- Iowa State UniversityUS20 papers
- Ames National LaboratoryUS18 papers
- Technische Universität BraunschweigDE17 papers
- University of StuttgartDE17 papers
- M.N. Mikheev Institute of Metal PhysicsRU16 papers
- University of GroningenNL16 papers
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- RWTH Aachen UniversityDE14 papers
8 papers · 1 filter
Computer simulations of defects in perovskite KNbO3 crystals
R. I. Eglitis, E. A. Kotomin, A. V. Postnikov +3
An ab initio LMTO approach and semi-empirical quantum chemical INDO method have been used for supercell calculations of basic point defects - F-type centers and hole polarons bound…
Observation of magnetic order in La_{1.9}Sr_{0.1}CuO_{4} from two-magnon Raman scattering
Y. Lin, J. Sichelschmidt, J. E. Eldridge +2
We reported two-magnon Raman scattering from La_{1.9}Sr_{0.1}CuO_4, which has a suppressed Tc=12 K, as the temperature is lowered below 37 K and an ordered spin phase is formed. Th…
Thermodynamics of the harmonic oscillator using coherent states
J. Schnack
The ongoing discussion whether thermodynamic properties can be extracted from a (possibly approximate) quantum mechanical time evolution using time averages is fed with an instruct…
Quasi-Particle Picture for Monatomic Gases
K. Baerwinkel, J. Schnack, U. Thelker
A quasi-particle theory for monatomic gases in equilibrium is formulated and evaluated to yield the exact virial contributions to the thermodynamic state functions in lowest order…
Electronic structure of VO2 studied by x-ray photoelectron and x-ray emission spectroscopies
E. Z. Kurmaev, V. M. Cherkashenko, Yu. M. Yarmoshenko +8
A VO2 single-crystal has been subject of a combined investigation by high resolution XPS, x-ray emission spectroscopy with electron and energy-selective x-ray excitation (V L-alpha…
First-principles and semiempirical Hartree-Fock calculations for F centers in KNbO3 and Li impurities in KTaO3
R. I. Eglitis, E. A. Kotomin, A. V. Postnikov +2
The LMTO method based on the density-functional theory and the semi-empirical INDO method based on the Hartree--Fock formalism are used for the supercell study of the F centers in…