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Low compressible β-BP3N6

AIP advances, 2019-12, Vol.9 (12), p.125029-125029-5

2019

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Ab initio study of elastic properties of super hard and graphitic structures of C3N4

Computational materials science, 2013-03, Vol.69, p.299-303

2013

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Structural stability and electronic properties of AgInS2 under pressure

The European physical journal. B, Condensed matter physics, 2016-04, Vol.89 (4), p.1-9, Article 90

2016

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First-principles calculations to investigate structural, elastic, electronic and thermodynamic properties of NbCoSn and VRhSn Half-Heusler compounds

Results in physics, 2022-12, Vol.43, p.106132, Article 106132

2022

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First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180∘ domain walls in PbTiO3 ferroelectric thin films

Physical review. B, 2020-05, Vol.101 (17), p.1

2020

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First-principles study of Si3N2

Computational materials science, 2015-01, Vol.96, p.140-145

2015

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First-principles studies of the structural, electronic and optical properties of dinitrides CN2, SiN2 and GeN2

Computational materials science, 2014-12, Vol.95, p.706-711

2014

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Computational study of the structural, electronic and optical properties of M2N2(NH): M=C, Si, Ge, Sn

Computational materials science, 2013-11, Vol.79, p.710-714

2013

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DFT+U investigation of electronic, optical, and thermoelectric properties of YAuX (X=Si or Ge or Sn) half-Heusler alloys

Results in physics, 2024-06, Vol.61, p.107747, Article 107747

2024

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DFT calculations of elastic, electronic and thermal properties of TiB2Mo

Oxford open materials science, 2022-02, Vol.2 (1)

2022

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Elastic behavior, pressure-induced doping and superconducting transition temperature of GdBa2Cu3O7−x

Journal of physics communications, 2022-01, Vol.6 (1), p.015004

2022

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A DFT study of mechanical properties of hcp rhenium

Materials today communications, 2022-03, Vol.30, p.103035, Article 103035

Manyali, George S.

2022

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Computational study of LiAlSi, LiAlGe and LiGaSi Half-Heusler alloys for opto-electronic applications

Physica. B, Condensed matter, 2024-11, Vol.693, p.416390, Article 416390

2024

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Surface plasmon polaritons in lossy uniaxial anisotropic materials

Physical review. B, Condensed matter and materials physics, 2012-02, Vol.85 (8), Article 085442

2012

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First principles study of thermo-physical and opto-electronic properties of NaCuTe, NaCuSe and NaScSn as potential photovoltaics

Physica. B, Condensed matter, 2024-07, Vol.684, p.415954, Article 415954

2024

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DFT investigation of structural, elastic, electronic, thermodynamic and optical properties of KCuZ (Z= Te, Se) solar absorbers

Solid state communications, 2023-09, Vol.370, p.115219, Article 115219

2023

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Ab initio study of K3Cu3P2 material for photovoltaic applications

Computational Condensed Matter, 2022-09, Vol.32, Article e00726

2022

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Ab initio study of K 3 Cu 3 P 2 material for photovoltaic applications

Computational Condensed Matter, 2022-09, Vol.32, p.e00726, Article e00726

2022

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Elastic behavior, pressure-induced doping and superconducting transition temperature of GdBa 2 Cu 3 O 7−x

Journal of physics communications, 2022-01, Vol.6 (1), p.15004

2022

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Structural stability and electronic properties of AgIn[S.sub.2] under pressure

The European physical journal. B, Condensed matter physics, 2016-04, Vol.89 (4)

2016

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Ab initio study of pressure induced phase transition, structural and electronic structure properties of superconducting perovskite compound GdBa2Cu3O7-x

Computational Condensed Matter, 2020-06, Vol.23, p.e00461, Article e00461

2020

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First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180 ∘ domain walls in PbTiO 3 ferroelectric thin films

Physical review. B, 2020-05, Vol.101 (17), Article 174114

2020

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Comparison of band -fitting and Wannier-based model construction for WSe2

MRS advances, 2020-01, Vol.5 (44), p.2281-2290

2020

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Computational photonics from the bottom-up

2012 14th International Conference on Transparent Optical Networks (ICTON), 2012, p.1-4

2012

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First-Principles Study of Structural, Elastic, Electronic and Thermodynamic Properties of Nbcosn and Vrhsn Half-Heusler Compounds

SSRN Electronic Journal

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Low compressible β-BP3N6

Ab initio study of elastic properties of super hard and graphitic structures of C3N4

Structural stability and electronic properties of AgInS2 under pressure

First-principles calculations to investigate structural, elastic, electronic and thermodynamic properties of NbCoSn and VRhSn Half-Heusler compounds

First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180∘ domain walls in PbTiO3 ferroelectric thin films

First-principles study of Si3N2

First-principles studies of the structural, electronic and optical properties of dinitrides CN2, SiN2 and GeN2

Computational study of the structural, electronic and optical properties of M2N2(NH): M=C, Si, Ge, Sn

DFT+U investigation of electronic, optical, and thermoelectric properties of YAuX (X=Si or Ge or Sn) half-Heusler alloys

DFT calculations of elastic, electronic and thermal properties of TiB2Mo

Elastic behavior, pressure-induced doping and superconducting transition temperature of GdBa2Cu3O7−x

A DFT study of mechanical properties of hcp rhenium

Computational study of LiAlSi, LiAlGe and LiGaSi Half-Heusler alloys for opto-electronic applications

Surface plasmon polaritons in lossy uniaxial anisotropic materials

First principles study of thermo-physical and opto-electronic properties of NaCuTe, NaCuSe and NaScSn as potential photovoltaics

DFT investigation of structural, elastic, electronic, thermodynamic and optical properties of KCuZ (Z= Te, Se) solar absorbers

Ab initio study of K3Cu3P2 material for photovoltaic applications

Ab initio study of K 3 Cu 3 P 2 material for photovoltaic applications

Elastic behavior, pressure-induced doping and superconducting transition temperature of GdBa 2 Cu 3 O 7−x

Structural stability and electronic properties of AgIn[S.sub.2] under pressure

Ab initio study of pressure induced phase transition, structural and electronic structure properties of superconducting perovskite compound GdBa2Cu3O7-x

First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180 ∘ domain walls in PbTiO 3 ferroelectric thin films

Comparison of band -fitting and Wannier-based model construction for WSe2

Computational photonics from the bottom-up

First-Principles Study of Structural, Elastic, Electronic and Thermodynamic Properties of Nbcosn and Vrhsn Half-Heusler Compounds

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