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Journal Article (10)
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1.Journal ArticleResolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN. Physical Review Materials 2 (9), 093608 (2018)
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2.Journal ArticleAssessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 98 (9), 094413 (2018)
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3.Journal ArticleEffect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture. Physical Review B 97 (3), 035152 (2018)
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4.Journal ArticleNonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B 96 (10), 104306 (2017)
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5.Journal ArticleLattice vibrations change the solid solubility of an alloy at high temperatures. Physical Review Letters 117 (20), 205502 (2016)
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6.Journal ArticleFinite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations. Physical Review B 94 (5), 054111 (2016)
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7.Journal ArticleStrong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 93 (22), 224411 (2016)
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8.Journal ArticleEfficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics. Physical Review B 93 (9), 094305 (2016)
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9.Journal ArticleLarge piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles. Physical Review B 92 (17), 174119 (2015)
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10.Journal ArticleThe influence of additions of Al and Si on the lattice stability of fcc and hcp Fe–Mn random alloys. Journal of Physics: Condensed Matter 23 (24), 246003 (2011)