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• W2016649813 abstract "Since the advent of theoretical materials science some 60 years ago, there has been a drive to predict and design new materials in silicio. Mathematical optimization procedures to determine phase stability can be generally applicable to complex ternary or higher-order materials systems where the phase diagrams of the binary constituents are sufficiently known. Here, we employ a simplex-optimization procedure to predict new compounds in the ternary Nb-Ge-C system. Our theoretical results show that the hypothetical ${mathrm{Nb}}_{2}mathrm{GeC}$ is stable, and excludes all reasonably conceivable competing hypothetical phases. We verify the existence of the ${mathrm{Nb}}_{2}mathrm{GeC}$ phase by thin film synthesis using magnetron sputtering. This hexagonal nanolaminated phase has $a$ and $c$ lattice parameters of $ensuremath{sim}3.24text{ }text{ }AA{}$ and 12.82 AA{}." @default.
• W2016649813 created "2016-06-24" @default.
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• W2016649813 date "2012-07-17" @default.
• W2016649813 modified "2023-10-02" @default.
• W2016649813 title "Discovery of the Ternary Nanolaminated Compound<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>Nb</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>GeC</mml:mi></mml:math>by a Systematic Theoretical-Experimental Approach" @default.
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• W2016649813 doi "https://doi.org/10.1103/physrevlett.109.035502" @default.
• W2016649813 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22861868" @default.
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