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- W2019433222 abstract "Within the framework of density-functional theory, plane waves, and pseudopotentials, we apply both the local-density approximation and the generalized-gradient approximation to the problem of calculating the energy difference between the two known crystal structures of ${mathrm{B}}_{2}$${mathrm{O}}_{3}$. We find that only the generalized- gradient approximation can properly account for the experimental transition pressure." @default.
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- W2019433222 title "<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>B</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>crystals investigated by plane-wave …" @default.
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- W2019433222 doi "https://doi.org/10.1103/physrevb.55.2824" @default.
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