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Ab-initio Study of structural, elastic, electronic and optical properties of hexahalometallate single crystals K2XBr6(X = Se, Pt)

Scientific reports, 2022-05, Vol.12 (1), p.8345-8345, Article 8345

2022

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First-principles calculations on structural, elastic, electronic, optical and thermal properties of CsPbCl3 perovskite

Physica. B, Condensed matter, 2011-04, Vol.406 (9), p.1837-1843

2011

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Prediction study of the structural, elastic, electronic, dynamic, optical and thermodynamic properties of cubic perovskite BiGaO3

Bulletin of materials science, 2022-09, Vol.45 (3), p.124, Article 124

2022

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Prediction study of structural, electronic and optical properties of 4C16H10Br2O2 Bis (m-bromobenzoyl) methane crystals

Biochemistry and biophysics reports, 2024-03, Vol.37, p.101601-101601, Article 101601

2024

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Effect of temperature and glass content on crystalline phases in porcelain sintered with recovered automotive glass

Heliyon, 2023-12, Vol.9 (12), p.e22554-e22554, Article e22554

2023

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Effect of functional on structural, elastic stability, optoelectronic and thermoelectric characteristics of semiconducting MgX2Se4 (X = Lu, Y) spinels

Bulletin of materials science, 2024-05, Vol.47 (2), p.102, Article 102

2024

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First-principles study of the structural, elastic, electronic, optical and thermodynamic properties of the cubic perovskite CsCdCl3 under high pressure

Solid state communications, 2010-10, Vol.150 (39-40), p.1896-1901

2010

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Study of the Structural, Elastic, Electronic and Optical Properties of the Ternary Acetylides A2MC2 (A = Na, K) and (M = Pb, Pt)

Journal of the Korean Physical Society, 2019, 75(9), , pp.678-684

2019

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Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)

Solid state sciences, 2015-05, Vol.43, p.9-14

2015

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Crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites

Results in physics, 2024-01, Vol.56, p.107138, Article 107138

2024

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Density functional prediction of the structural, elastic, electronic, and thermodynamic properties of the cubic and hexagonal (c, h)-Fe2Hf

Metallurgical & materials engineering, 2022-06, Vol.28 (2), p.171-186

2022

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Structural, electronic and optical properties of the anhydrous orthorhombic 2C14H12Br2S3Bis (2-Bromobenzyl) trisulfide crystals

Journal of materials research and technology, 2022-05, Vol.18, p.396-404

2022

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Structural, electronic, optical and thermodynamic properties of SrxCa1-xO, BaxSr1-xO and BaxCa1-xO alloys

Journal of alloys and compounds, 2011-02, Vol.509 (5), p.1440-1447

2011

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The impact of functionals on BiGaO3 structural, electronic, optical and thermoelectric properties

Chemical physics impact, 2022-12, Vol.5, p.100110, Article 100110

2022

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Theoretical study of the structural, elastic, electronic and thermal properties of the MAX phase Nb2SiC

Solid state communications, 2011-03, Vol.151 (5), p.382-387

2011

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Structural, elastic, thermoelastic and electronic properties of M2O3 (M = Cr, Fe, Al) compounds: Experimental and theoretical study

Results in physics, 2019-03, Vol.12, p.725-731

2019

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The kinetics of precipitation in Al-2.4 wt% Cu alloy by Kissinger, Ozawa, Bosswel and Matusita methods

Physica. B, Condensed matter, 2011-05, Vol.406 (11), p.2277-2280

2011

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Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) under pressure effect

Solid state sciences, 2012-07, Vol.14 (7), p.903-913

2012

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First-principles study of structural, elastic, electronic and optical properties of perovskites XCaH3 (X = Cs and Rb) under pressure

Solid state sciences, 2010-04, Vol.12 (4), p.587-596

2010

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Theoretical studies of structural, elastic, electronic and lattice dynamic properties of AlxYyB1−x−yN quaternary alloys

Physica. B, Condensed matter, 2011-07, Vol.406 (13), p.2521-2527

2011

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Structural, elastic, electronic, chemical bonding and optical properties of Cu-based oxides ACuO (A=Li, Na, K and Rb): An ab initio study

Computational materials science, 2014-01, Vol.81, p.561-574

2014

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First-principles study on stability, energy gaps, optical phonon and related parameters of In1−x−yAlxGayAs alloys

Journal of solid state chemistry, 2012-08, Vol.192, p.161-167

2012

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Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds

Results in physics, 2018-06, Vol.9, p.763-770

2018

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Structural, elastic, electronic and lattice dynamical properties of III-P quaternary alloys matched to AlP

Materials science in semiconductor processing, 2013-06, Vol.16 (3), p.718-726

2013

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First-principles study of structural, elastic, electronic and optical properties of SrMO3 (M = Ti and Sn)

Solid state communications, 2009-12, Vol.149 (47-48), p.2244-2249

2009

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Ab-initio Study of structural, elastic, electronic and optical properties of hexahalometallate single crystals K2XBr6(X = Se, Pt)

First-principles calculations on structural, elastic, electronic, optical and thermal properties of CsPbCl3 perovskite

Prediction study of the structural, elastic, electronic, dynamic, optical and thermodynamic properties of cubic perovskite BiGaO3

Prediction study of structural, electronic and optical properties of 4C16H10Br2O2 Bis (m-bromobenzoyl) methane crystals

Effect of temperature and glass content on crystalline phases in porcelain sintered with recovered automotive glass

Effect of functional on structural, elastic stability, optoelectronic and thermoelectric characteristics of semiconducting MgX2Se4 (X = Lu, Y) spinels

First-principles study of the structural, elastic, electronic, optical and thermodynamic properties of the cubic perovskite CsCdCl3 under high pressure

Study of the Structural, Elastic, Electronic and Optical Properties of the Ternary Acetylides A2MC2 (A = Na, K) and (M = Pb, Pt)

Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)

Crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites

Density functional prediction of the structural, elastic, electronic, and thermodynamic properties of the cubic and hexagonal (c, h)-Fe2Hf

Structural, electronic and optical properties of the anhydrous orthorhombic 2C14H12Br2S3Bis (2-Bromobenzyl) trisulfide crystals

Structural, electronic, optical and thermodynamic properties of SrxCa1-xO, BaxSr1-xO and BaxCa1-xO alloys

The impact of functionals on BiGaO3 structural, electronic, optical and thermoelectric properties

Theoretical study of the structural, elastic, electronic and thermal properties of the MAX phase Nb2SiC

Structural, elastic, thermoelastic and electronic properties of M2O3 (M = Cr, Fe, Al) compounds: Experimental and theoretical study

The kinetics of precipitation in Al-2.4 wt% Cu alloy by Kissinger, Ozawa, Bosswel and Matusita methods

Theoretical prediction of the structural, elastic, electronic, optical and thermal properties of the cubic perovskites CsXF3 (X = Ca, Sr and Hg) under pressure effect

First-principles study of structural, elastic, electronic and optical properties of perovskites XCaH3 (X = Cs and Rb) under pressure

Theoretical studies of structural, elastic, electronic and lattice dynamic properties of AlxYyB1−x−yN quaternary alloys

Structural, elastic, electronic, chemical bonding and optical properties of Cu-based oxides ACuO (A=Li, Na, K and Rb): An ab initio study

First-principles study on stability, energy gaps, optical phonon and related parameters of In1−x−yAlxGayAs alloys

Prediction study of structural, elastic and electronic properties of FeMP (M = Ti, Zr, Hf) compounds

Structural, elastic, electronic and lattice dynamical properties of III-P quaternary alloys matched to AlP

First-principles study of structural, elastic, electronic and optical properties of SrMO3 (M = Ti and Sn)

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