High pressure phase transitions in Mg1–xCaxO: Theory

Srivastava, Anurag; Chauhan, Mamta; Singh, Rachna; Padegaonker, Rishikesh

doi:10.1002/pssb.201046508

Cited by 12 publications

(4 citation statements)

References 46 publications

(28 reference statements)

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“…Twinning formation is common in crystalline films, with 180°mirror images having almost identical formation energy as shown in the Mg 0.72 Ca 0.28 O left-right symmetric diffraction pattern [38,39]. Moreover, from the diffraction pattern, the zone axis of the SiC substrate in these TEM images is 11 [40]. But the TEM diffraction pattern clearly showed that there is no phase other than rock salt and also no phase separation is observed.…”

Section: Epitaxial Growth Of Mg X Ca 1−x O On Sicmentioning

confidence: 68%

Epitaxial growth of Mg_xCa_1−xO on 4H–SiC(0001) and β-Ga₂O₃ wide band gap semiconductors with atomic layer deposition

et al. 2020

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Section: Epitaxial Growth Of Mg X Ca 1−x O On Sicmentioning

confidence: 68%

Epitaxial growth of Mg_xCa_1−xO on 4H–SiC(0001) and β-Ga₂O₃ wide band gap semiconductors with atomic layer deposition

et al. 2020

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“…26 In the case of mixed phase oxides there is experimental evidence that these exist at high temperature 27 and as a result of molecular beam epitaxy. [28][29][30] Some theoretical work investigating thermodynamic stability has been reported at high pressure and temperature 31 and using the local density approximation (LDA). 32 In this study we directly investigate the composition of dolomitic lime, conrming the degree of phase-separation and defect concentration following decomposition.…”

Section: Introductionmentioning

confidence: 99%

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confidence: 99%

An experimental and computational study to resolve the composition of dolomitic lime

et al. 2016

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(2016) An experimental and computational study to resolve the composition of dolomitic lime. RSC Advances, 6 (19). pp. 16066-16072. ISSN 204616066-16072. ISSN -2069 Published by: Royal Society of Chemistry URL: http://dx.doi.org/10.1039/C5RA25451E This version was downloaded from Northumbria Research Link: http://nrl.northumbria.ac.uk/27340/ Northumbria University has developed Northumbria Research Link (NRL) to enable users to access the University's research output. Copyright © and moral rights for items on NRL are retained by the individual author(s) and/or other copyright owners. Single copies of full items can be reproduced, displayed or performed, and given to third parties in any format or medium for personal research or study, educational, or not-for-profit purposes without prior permission or charge, provided the authors, title and full bibliographic details are given, as well as a hyperlink and/or URL to the original metadata page. The content must not be changed in any way. Full items must not be sold commercially in any format or medium without formal permission of the copyright holder. The full policy is available online: http://nrl.northumbria.ac.uk/policies.html This document may differ from the final, published version of the research and has been made available online in accordance with publisher policies. To read and/or cite from the published version of the research, please visit the publisher's website (a subscription may be required.)Dear Author, Please, note that changes made to the HTML content will be added to the article before publication, but are not reflected in this PDF.Note also that this file should not be used for submitting corrections. RSC Advances c5ra25451e PAPERPlease check this proof carefully. Our staff will not read it in detail after you have submitted your proof corrections.Our staff will not read it in detail after you have submitted your proof corrections.Translation errors between word-processor files and typesetting systems can occur so the whole proof needs to be read. Please pay particular attention to: tabulated material; equations; numerical data; figures and graphics; and references. If you have not already indicated the corresponding author(s) please mark their name(s) with an asterisk. Corrections at this stage should be minor and not involve extensive changes. Please do not directly edit the text within the PDF file or send a revised manuscript. All corrections must be submitted at the same time.Please bear in mind that minor layout improvements, e.g. in line breaking, table widths and graphic placement, are routinely Please bear in mind that minor layout improvements, e.g. in line breaking, table widths and graphic placement, are routinely applied to the final version. applied to the final version.We will publish articles on the web as soon as possible after receiving your corrections; no late corrections will be made. no late corrections will be made.Please return your final final corrections, where possible within 4...

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“…Stolbov and Cohen[10] have studied the electronic structure for equilibrium MgO-CaO. Miloua et al[11] have calculated the electronic properties of Besides, A. Srivastava et al[12] calculated phase translations in…”

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The Bowing Parameters of CaχMg1-χO Ternary Alloys

Gülebağlan¹,

Doğan²,

Aycibin³

et al. 2014

JMP

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On the basis of first principles calculations using density functional theory, we explore the structural and electronic properties of two binaries: CaO and MgO in rock salt structures. Structural properties of the semiconductor x 1 Ca Mg O − x alloys are derived from total-energy minimization within the General Gradient Approximation. The band gap bowing parameters dependence is very powerful Calcium composition. The results offer that an average bowing parameter of x 1 Ca Mg O − x alloys is b = ~0.583$ eV. We analyzed the volume deformation, charge transfer and structural relaxation effects of the x 1 Ca Mg O − x alloys.

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High pressure phase transitions in Mg_1–xCa_xO: Theory

Abstract: We have analysed a B1 ! B2 structural phase transitions in

Cited by 12 publications

References 46 publications

Epitaxial growth of Mg_xCa_1−xO on 4H–SiC(0001) and β-Ga₂O₃ wide band gap semiconductors with atomic layer deposition

Epitaxial growth of Mg_xCa_1−xO on 4H–SiC(0001) and β-Ga₂O₃ wide band gap semiconductors with atomic layer deposition

An experimental and computational study to resolve the composition of dolomitic lime

The Bowing Parameters of Ca<sub>χ</sub>Mg<sub>1-χ</sub>O Ternary Alloys

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High pressure phase transitions in Mg1–xCaxO: Theory

Abstract: We have analysed a B1 ! B2 structural phase transitions in

Cited by 12 publications

References 46 publications

Epitaxial growth of MgxCa1−xO on 4H–SiC(0001) and β-Ga2O3 wide band gap semiconductors with atomic layer deposition

Epitaxial growth of MgxCa1−xO on 4H–SiC(0001) and β-Ga2O3 wide band gap semiconductors with atomic layer deposition

An experimental and computational study to resolve the composition of dolomitic lime

The Bowing Parameters of Ca&lt;sub&gt;χ&lt;/sub&gt;Mg&lt;sub&gt;1-χ&lt;/sub&gt;O Ternary Alloys

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High pressure phase transitions in Mg_1–xCa_xO: Theory

Epitaxial growth of Mg_xCa_1−xO on 4H–SiC(0001) and β-Ga₂O₃ wide band gap semiconductors with atomic layer deposition

Epitaxial growth of Mg_xCa_1−xO on 4H–SiC(0001) and β-Ga₂O₃ wide band gap semiconductors with atomic layer deposition

The Bowing Parameters of Ca<sub>χ</sub>Mg<sub>1-χ</sub>O Ternary Alloys