First principles study of structural, elastic, electronic and optical properties of the cubic perovskite BaHfO3

Bouhemadou, A.; Djabi, Farida; Khenata, R.

doi:10.1016/j.physleta.2008.04.015

Cited by 66 publications

(35 citation statements)

References 27 publications

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“…In addition to these calculations, for the sake of comparison, calculated pressure-volume data are fitted to third order Birch-Murnaghan equation of state (EOS) [53],…”

Section: Calculation Detailsmentioning

confidence: 99%

First-principles calculations of elemental crystalline boron phases under high pressure: Orthorhombic B28 and tetragonal B48

Aydın

Şi̇mşek

2011

Journal of Alloys and Compounds

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“…In addition to these calculations, for the sake of comparison, calculated pressure-volume data are fitted to third order Birch-Murnaghan equation of state (EOS) [53],…”

Section: Calculation Detailsmentioning

confidence: 99%

First-principles calculations of elemental crystalline boron phases under high pressure: Orthorhombic B28 and tetragonal B48

Aydın

Şi̇mşek

2011

Journal of Alloys and Compounds

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“…However, when compared with the experimental extinction coefficient spectrum, there is a slight energy shift of about 0.83 eV for the first peak. As we know, the extinction coefficient reflects the absorption of a dielectric material due to the transition of electrons from the VB to the CB [27]. As mentioned above, a scissor operation of 1.4 eV is used to represent the experimental band gap when calculating the optical properties.…”

Section: Resultsmentioning

confidence: 99%

First principles calculations of magnetic, electronic and optical properties of (Mn–Fe) co-doped SrTiO3

Shen

Hailong

et al. 2016

Optik

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“…Among the possible oxides that can be obtained, the BaHfO3for study. Papers already published on the BaHfO3demonstrate that it has a cubic structure, and its morphology is reported to be composed of spheres [21][22][23][24][25]. Some of the studied properties of this oxide are luminescence [36-38] and dielectric behavior [29].…”

Section: Issn: 2349-6495(p) | 2456-1908(o)mentioning

confidence: 99%

Synthesis of BaHfO3 through with reduction of KOH

Vanessa¹,

Cristina²

2018

IJAERS

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Abstract-In this work will be presented the results obtained in the synthesis and structural and morphological characterization of perovskite oxide Barium Hafnate (BaHfO3) synthesized by the hydrothermal method assisted by microwave (MAH) with two concentrations of potassium hydroxide (KOH). One with concentration of 2.4M which will be called BHO24 and another one of 3.6 M which will be called BHO36, in order to reduce the difference between the amount of reagents (in this case barium chloride and hafnium chloride-Bacl2 and HfCl4) and the amount of mineralizing agent (in this case KOH) used in synthesis through the MAH. The objective of this study is to analyze the possibility of synthesizing a perovskite oxide by MAH with the minimum amount of KOH and to analyze if there is any change in the structure or morphology of the same. To analyze the structural change, the X-ray diffraction (XRD) and to analyze the morphological change was used the characterization technique of scanning electron microscopy (SEM).

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First principles study of structural, elastic, electronic and optical properties of the cubic perovskite BaHfO3

Cited by 66 publications

References 27 publications

First-principles calculations of elemental crystalline boron phases under high pressure: Orthorhombic B28 and tetragonal B48

First-principles calculations of elemental crystalline boron phases under high pressure: Orthorhombic B28 and tetragonal B48

First principles calculations of magnetic, electronic and optical properties of (Mn–Fe) co-doped SrTiO3

Synthesis of BaHfO3 through with reduction of KOH

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