The chemical response of main-group extended solids to formal mixed valency: the case of LixBC.
نویسندگان
چکیده
The introduction of mixed valency into extended main-group solids is discussed using the example of hole-doped LiBC, where a combination of experimental measurements and density functional theory calculations is used to understand the observed electronic properties in terms of deviation from the expected rigid-band electronic structure behaviour.
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عنوان ژورنال:
- Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
دوره 366 1862 شماره
صفحات -
تاریخ انتشار 2008