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Understanding the computational insights of spin-polarised density functional theory into the newly half-metallic f electron-based actinide perovskites SrMO3 (M …
Here, we investigated the structural, mechanical, electronic, magnetic, thermodynamic and
thermoelectric properties of Strontium based simple perovskites SrMO3 (M= Pa, Np, Cm, Bk) …
thermoelectric properties of Strontium based simple perovskites SrMO3 (M= Pa, Np, Cm, Bk) …
First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical …
The motive of this study is to offer a comprehensive evaluation of the structural, elastic,
mechanical, anisotropic, electrical and optical characteristics of BaThO 3 under the pressure …
mechanical, anisotropic, electrical and optical characteristics of BaThO 3 under the pressure …
First-principles investigation on electronic structure, magnetic, mechanical and thermodynamic properties of SrPuO3 perovskite oxide
SA Dar, V Srivastava, UK Sakalle… - Materials Research …, 2018 - iopscience.iop.org
Theoretical investigation on electronic structural, magnetic, mechanical and thermodynamic
properties of SrPuO 3 perovskite oxide has been accomplished within density functional …
properties of SrPuO 3 perovskite oxide has been accomplished within density functional …
Structural, elastic and magneto-electronic properties of half-metallic BaNpO3 perovskite
First principles calculations on structural, electronic, magnetic and elastic properties of
BaNpO 3 oxide are reported using full potential augmented plane wave method. To achieve …
BaNpO 3 oxide are reported using full potential augmented plane wave method. To achieve …
Exploration of uranium double perovskites Ba2MUO6 (M= Co, Ni) for magnetism, spintronic and thermoelectric applications
SA Mir, DC Gupta - Journal of Magnetism and Magnetic Materials, 2020 - Elsevier
Abstract Ba 2 MUO 6 (M= Co, Ni) alloys are investigated to understand their electronic
structure, magnetic character together with thermoelectric behavior using ab-initio formulism …
structure, magnetic character together with thermoelectric behavior using ab-initio formulism …
DFT investigation on electronic, magnetic, mechanical and thermodynamic properties under pressure of some EuMO3 (M= Ga, In) perovskites
SA Dar, V Srivastava, UK Sakalle… - Materials Research …, 2017 - iopscience.iop.org
The structural, electronic, magnetic and elastic properties of cubic EuMO 3 (M= Ga, In)
perovskites has been successfully predicted within well accepted density functional theory …
perovskites has been successfully predicted within well accepted density functional theory …
Perovskite-structure TlBO 3 (B= Cr, Mn) for thermomechanical and optoelectronic applications: an investigation via a DFT scheme
First-principles-based DFT calculations have been carried out to analyze the structural,
mechanical, elastic anisotropic, Vickers hardness, electronic, optical, and thermodynamic …
mechanical, elastic anisotropic, Vickers hardness, electronic, optical, and thermodynamic …
Exploration of optoelectronic, thermodynamic, and thermoelectric properties of RFeO3 (R= Pr, Nd) perovskites
We have investigated the rare-earth ferrites perovskite RFeO 3 (R= Pr, Nd) for their
structural, electronic, magnetic, optical, thermodynamic, and thermoelectric behavior using …
structural, electronic, magnetic, optical, thermodynamic, and thermoelectric behavior using …
[PDF][PDF] Investigation of AcXO3 (X = Al, Ga) perovskites for energy harvesting applications: a DFT approach.
Recurrent handling of environmental pollution and global energy crises has undoubtedly
attracted researcher's interest for the development of new electrochemical energy storage …
attracted researcher's interest for the development of new electrochemical energy storage …
DFT understandings of structural properties, mechanical stability and thermodynamic properties of BaCfO3 perovskite
Electronic structure, mechanical stability, magnetic and thermal properties of BaCfO 3
perovskite have been investigated by density functional theory calculations using full …
perovskite have been investigated by density functional theory calculations using full …