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First-principles study of the structure, electronic, and optical properties of orthorhombic
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10.1063/1.2770761
/content/aip/journal/apl/91/7/10.1063/1.2770761
http://aip.metastore.ingenta.com/content/aip/journal/apl/91/7/10.1063/1.2770761

Figures

Image of FIG. 1.
FIG. 1.

Energy band structure of orthorhombic .

Image of FIG. 2.
FIG. 2.

Total and partial DOS of orthorhombic .

Image of FIG. 3.
FIG. 3.

Imaginary part and real part of the dielectric function of orthorhombic .

Image of FIG. 4.
FIG. 4.

Optical constants of orthorhombic . (a) Absorption spectrum, (b) refractive index, (c) extinction coefficient, (d) reflectivity, and (e) energy-loss spectrum.

Tables

Generic image for table
Table I.

Calculated and experimental lattice parameters, bulk modulus , and its pressure derivative of orthorhombic .

Generic image for table
Table II.

Mulliken charge population of orthorhombic .

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/content/aip/journal/apl/91/7/10.1063/1.2770761
2007-08-13
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles study of the structure, electronic, and optical properties of orthorhombic BiInO3
http://aip.metastore.ingenta.com/content/aip/journal/apl/91/7/10.1063/1.2770761
10.1063/1.2770761
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