Search Results - "Rayhan, M A"
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1
Structural and optoelectronic study of MgLiX3 (X= Cl, Br, and I) halide perovskites: A DFT approach
Published in AIP advances (01-10-2024)“…This article presents in-depth information on the structural and optoelectronic properties of MgLiX3 (X = Cl, Br, and I) perovskites, and it suggests that…”
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2
Structural, mechanical, electronic, and anisotropic properties of niobium-doped strontium ferrite: first-principle calculations
Published in Applied physics. A, Materials science & processing (2021)“…In this research, the various physical properties of Nb-doped SrFeO 3 were investigated using the density functional theory (DFT), which was not experimentally…”
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3
A systematic first‐principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half‐Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications
Published in Journal of computational chemistry (05-11-2024)“…This paper is the first to look at the structural, electronic, mechanical, optical, and thermodynamic properties of the ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn)…”
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4
First-principles prediction of mechanical and bonding characteristics of new T2 superconductor Ta5GeB2
Published in physica status solidi (b) (01-10-2016)“…In the present paper, density functional theory (DFT) based first‐principles methods are applied to investigate the mechanical and bonding properties of the…”
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5
Analyzing the physical properties of Half-Heusler RNiSb (R = Sc, Y) for optoelectronic and thermoelectric applications based on first-principles theories
Published in Physica scripta (01-10-2024)“…In this study, we investigated the RNiSb (R = Sc, Y) half-Heusler material for various properties including structural, electronic, mechanical, elastic…”
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6
First‐Principles Study of Superconducting ScRhP and ScIrP pnictides
Published in physica status solidi (b) (01-11-2017)“…For the first time, we have reported in this study an ab initio investigation on elastic properties, Debye temperature, Mulliken population, Vickers hardness,…”
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Theoretical prediction of the mechanical, electronic, optical and thermodynamic properties of antiperovskites A3BO (A = K, Rb and B = Au, Br) using DFT scheme: new candidate for optoelectronic devices application
Published in Journal of computational electronics (01-12-2024)“…Density Functional Theory (DFT) is incorporated in this study to examine the thermodynamic, electronic, mechanical, and optical characteristics of…”
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8
First-principles study of elastic, electronic, optical and thermoelectric properties of newly synthesized K2Cu2GeS4 chalcogenide
Published in Journal of alloys and compounds (15-04-2019)“…In this article, we report the elastic, electronic, optical and thermoelectric properties of recently synthesized K2Cu2GeS4 chalcogenide. The structural…”
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9
Observation of microplastics in mariculture water of Longjiao Bay, southeast China: Influence by human activities
Published in Marine pollution bulletin (01-11-2020)“…The fishery and mariculture industry contributes to social food supply and offers high-quality protein to humans. However, mariculture is recently regarded as…”
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10
New superconductor (Na0.25K0.45) Ba3Bi4O12: A first-principles study
Published in Physica. C, Superconductivity (15-11-2014)Get full text
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11
Structural, elastic, thermal and lattice dynamic properties of new 321 MAX phases
Published in Computational materials science (01-12-2019)“…[Display omitted] •The new 321 MAX phases are mechanically and dynamically stable.•Nb3As2C possesses the highest Debye temperature and lattice thermal…”
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Theoretical investigation of structural, mechanical, electronic, optical, and thermal properties of ternary compounds of heusler alloy ANiSn (A= TI, TH, U) using first principles calculations
Published in Physica. B, Condensed matter (15-12-2024)“…In this study, we investigated the ANiSn (A = Ti, Th, U) half-Heusler materials for various properties, including structural, electronic, mechanical, elastic…”
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13
Insights into the physical properties of inverse-Heusler alloy Cr 2 CoGa via density functional theory
Published in Physica scripta (01-05-2021)“…First-principles analyses are accomplished on the structural, mechanical, thermal, electronic, and optical properties of inverse-Heusler alloy Cr 2 CoGa using…”
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14
Insights into the physical properties of newly synthesized AMn2P2 (A= Ca, Sr) via density functional theory
Published in Physica. B, Condensed matter (15-03-2023)“…AMn2P2 (A = Ca, Sr) materials are first-time investigation using ab-initio-based on Density Functional Theory (DFT). Different physical characteristics,…”
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15
First-principles prediction of mechanical and bonding characteristics of new T2 superconductor Ta5GeB2
Published 21-07-2016“…In the present paper, DFT (Density Functional Theory) based first-principles methods are applied to investigate the mechanical and bonding properties of newly…”
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16
First-principles study of superconducting ScRhP and ScIrP pnictides
Published 17-05-2017“…For the first time, we have reported in this study an ab initio investigation on elastic properties, Debye temperature, Mulliken population, Vickers hardness,…”
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17
First-principles study of Vickers hardness and thermodynamic properties of Ti3SnC2 polymorphs
Published 14-05-2015“…JOURNAL OF SCIENTIFIC RESEARCH 7 (2015) 53-64 We have investigated Vickers hardness and the thermodynamic properties of the recently discovered nanolaminate…”
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18
New MAX Phase Compound Mo2TiAlC2: First-principles Study
Published 14-03-2016“…Journal of Scientific Research 8(2) (2016) 109-117 A theoretical study of Mo2TiAlC2 compound belonging to the MAX phases has been performed by using the…”
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19
First‐principles prediction of mechanical and bonding characteristics of new T 2 superconductor Ta 5 GeB 2
Published in physica status solidi (b) (01-10-2016)Get full text
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20
Insights into the unrevealed physical properties of Sc2Al2C3 compared with other Sc-Al-C systems via ab-initio investigation
Published in Physics open (01-05-2024)“…In this study, an attempt has been made to explore the physical characteristics of Sc2Al2C3, including a first-time investigation of elastic anisotropy,…”
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