Band structure of LaPO4

被引：3

作者：

Syrotyuk, S., V ^{[1
]}

Chornodolskyy, Ya M. ^{[2
]}

Vistovskyy, V. V. ^{[2
]}

Voloshinovskii, A. S. ^{[2
]}

Gektin, A., V ^{[3
]}

机构：

[1] Natl Univ, Lviv Polytech, 12 S Bandera St, UA-79013 Lvov, Ukraine

[2] I Franko Natl Univ Lviv, UA-79005 Lvov, Ukraine

[3] Natl Acad Sci Ukraine, Inst Scintillat Mat, STC Inst Single Crystals, UA-61001 Kharkov, Ukraine

来源：

FUNCTIONAL MATERIALS | 2013年 / 20卷 / 03期

关键词：

D O I：

10.15407/fm20.03.373

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The calculations of band structure of LaPO4 crystal of monoclinic and hexagonal lattice symmetry is performed using the PAW formalism and taking into account the strong local correlations in the PBE0 GGA approximation. The obtained results are in good agreement with the experimental ones obtained from the luminescence excitation spectra of intrinsic emission of LaPO4 crystal. The calculation of the partial electron state density of LaPO4 crystal is performed and the nature of the various states in the overall density formation is explained.

引用

页码：373 / 377

页数：5

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