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List of works by Jürgen Spitaler

ATAT@WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

Atomistic origins of the differences in anisotropic fracture behaviour of LiTaO3 and LiNbO3 single crystals

scientific article published in May 2018

Bonding and physical properties of the scheelite-type materialsAgReO4andNaReO4

scholarly article in Physical Review B, vol. 67 no. 11, March 2003

Charge ordering in quarter-filled ladder systems coupled to the lattice

scholarly article in Physical Review B, vol. 69 no. 24, June 2004

Combined use of small-angle neutron scattering and atom probe tomography for the analysis of precipitates in a Fe-15 m% Co-25 m% Mo alloy

Coupling of Hubbard fermions with phonons in La 2 CuO 4 : A combined study using density-functional theory and the generalized tight-binding method

ElaStic: A tool for calculating second-order elastic constants from first principles

article by Rostam Golesorkhtabar et al published August 2013 in Computer Physics Communications

First-principles study of phonons, optical properties, and Raman spectra inMgV2O5

scholarly article in Physical Review B, vol. 78 no. 6, August 2008

Lattice vibrations in CaV2O5and their manifestations: a theoretical study based on density functional theory

article

Multielectron approach to the electronic structure and mechanisms of superconductivity in high-Tc cuprates

scholarly article by S.G. Ovchinnikov et al published April 2009 in Journal of Magnetism and Magnetic Materials

Optical Properties and Raman Scattering of Vanadium Ladder Compounds

Optical properties, electron-phonon coupling, and Raman scattering of vanadium ladder compounds

scholarly article in Physical Review B, vol. 70 no. 12, September 2004

Raman scattering of vanadium ladder compounds from first principles

Thermal expansion coefficient of WRe alloys from first principles

scholarly article in Physical Review B, vol. 96 no. 3, July 2017

TiO2(100)/Al2O3(0001) interface: A first-principles study supported by experiment

scholarly article in Physical Review B, vol. 86 no. 20, November 2012

Understanding and controlling inversion boundaries in ZnO

scientific article published in 2022

Zone-center phonons inNaV2O5: A comprehensiveab initiostudy including Raman spectra and electron-phonon interaction

scholarly article in Physical Review B, vol. 75 no. 1, January 2007

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