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Vibrational Properties and Charge Transfer in the Misfit-Layer Compound LaS–CrS2

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We present density functional theory calculations of the vibrational and electronic properties of the misfit-layer compound (MLC) LaS–CrS2 and its isolated sublayers to identify the vibrational mod... Click to show full abstract

We present density functional theory calculations of the vibrational and electronic properties of the misfit-layer compound (MLC) LaS–CrS2 and its isolated sublayers to identify the vibrational mod...

Keywords: vibrational properties; las crs2; misfit layer; layer compound

Journal Title: Journal of Physical Chemistry C
Year Published: 2021

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