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Electronic and crystalline structures of zero band-gap LuPdBi thin films grown epitaxially on MgO(100)
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View: Figures


Image of FIG. 1.
FIG. 1.

X-ray diffraction patterns of thin LuPdBi films on Ta–Mo-buffered MgO(100). (a) (100) polar scan of LuPdBi (red curve); the black solid curve indicates the background from the MgO(100) substrate. (b) (111) polar scan of LuPdBi and azimuth scan of LuPdBi(111) (inset).

Image of FIG. 2.
FIG. 2.

Morphology of thin LuPdBi films. (a) Atomic force microscopy three-dimensional surface representation of a 2 × 2 μ2 area of a LuPdBi film with a cap layer. The color scale corresponds to a total height variation of 17.4 nm. (b) reflection high-energy electron diffraction pattern of LuPdBi.

Image of FIG. 3.
FIG. 3.

Electronic structure of LuPdBi. (a) The complete band structure for a fully relaxed lattice parameter. (b) and (c) The band structure in the vicinity of the Fermi energy for the relaxed lattice parameter and a 5% (3% with respect to ) compressed lattice parameter, respectively. In (c), a small band gap of width 40 meV is opened. Calculations were performed with spin–orbit interactions for all elements and LDA + U for the Lu 4f electrons.

Image of FIG. 4.
FIG. 4.

Valence band of LuPdBi. (a) and (b) The valence band spectra taken with a photon energy of about 8 keV. (c) and (d) The density of states, and the density localized at the Pd atoms is marked by the shaded area. (b) and (d) The valence band close to the Fermi energy on an enlarged scale.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Electronic and crystalline structures of zero band-gap LuPdBi thin films grown epitaxially on MgO(100)