Dinesh C. Gupta
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View article: First principles insights into the structural, thermoelectric and optical behaviour of Bi-based half Heusler alloys RhNbBi and IrNbBi
First principles insights into the structural, thermoelectric and optical behaviour of Bi-based half Heusler alloys RhNbBi and IrNbBi Open
The urgent demand for sustainable energy conversion technologies has stimulated intensive research on thermoelectric materials capable of directly converting waste heat into electricity. In this work, the Bi-based half-Heusler alloys RhNbB…
View article: Scrutinizing the inherent half-metallicity, electronic structure, mechanical stability, optical and thermoelectric response of d-electron based Sc2VX (X = Si, Ge) Heusler alloys
Scrutinizing the inherent half-metallicity, electronic structure, mechanical stability, optical and thermoelectric response of d-electron based Sc2VX (X = Si, Ge) Heusler alloys Open
The current research presents the investigation of the structural, electronic, magnetic, mechanical, thermodynamic, optical, and thermoelectric properties of the Scandium-based full Heusler alloy Sc2VX (X = Si, Ge). The cohesive…
View article: The impact of deforestation on local climates and weather patterns
The impact of deforestation on local climates and weather patterns Open
Deforestation in the Hazaribagh Forest Complex has severely impacted neighborhood weather and meals manufacturing. Over 100,000 hectares of wooded area were misplaced considering that 1988, leading to disrupted rainfall patterns, growing t…
View article: First-principles investigation of thermoelectric performance in KMnZ (Z = Sn, Pb) half-Heusler alloys
First-principles investigation of thermoelectric performance in KMnZ (Z = Sn, Pb) half-Heusler alloys Open
DFT (WIEN2k) and DFPT were used to analyze KMnZ half-Heusler alloys. Spin-polarized phase II proved most stable, with LDA, PBE-GGA, and TB-mBJ confirming half-metallicity. The ductile, robust alloy shows promise for spintronics and thermoe…
View article: Assessing half-Heusler alloys PtNbZ (Z=Al, Ga, In) <i>via</i> DFT: acceptability for thermoelectric applications
Assessing half-Heusler alloys PtNbZ (Z=Al, Ga, In) <i>via</i> DFT: acceptability for thermoelectric applications Open
We explore the charge density of PtNbZ (Z = Al, Ga, In) alloys, plotting and profiling their charge density.
View article: First-principles calculations to investigate thermoelectric, thermophysical, and optical properties of RNi₄P₁₂ (R = Sm, Eu) rare-earth metal skutterudites
First-principles calculations to investigate thermoelectric, thermophysical, and optical properties of RNi₄P₁₂ (R = Sm, Eu) rare-earth metal skutterudites Open
This study presents a comprehensive investigation into the intrinsic properties of RNi4P12 (where R = Sm, Eu) filled skutterudite, employing the full-potential linearized augmented plane wave method within density fun…
View article: DFT simulations of the elastic, optoelectronic, and thermoelectric attributes of AOsCl3 (A = K, Rb), a robust and environmentally friendly perovskites for green energy implications
DFT simulations of the elastic, optoelectronic, and thermoelectric attributes of AOsCl3 (A = K, Rb), a robust and environmentally friendly perovskites for green energy implications Open
View article: Analyzing the structural, optoelectronic, and thermoelectric properties of InGeX3 (X = Br) perovskites via DFT computations
Analyzing the structural, optoelectronic, and thermoelectric properties of InGeX3 (X = Br) perovskites via DFT computations Open
The Electronic and optical properties of InGeX 3 (X = Cl, Br) were examined by adopting the density functional theory (DFT) approach. We applied the GGA + Trans-Blaha modified Becke–Johnson (TB-mBJ) technique to acquire the precise bandgap…
View article: Unravelling Optoelectronic and Transport Properties in RuZrX (X=Si, Ge) Alloys: Insights from DFT
Unravelling Optoelectronic and Transport Properties in RuZrX (X=Si, Ge) Alloys: Insights from DFT Open
The structural, mechanical, electronic, and thermoelectric properties of RuZrSi and RuZrGe half‐Heusler alloys were thoroughly examined using the full‐potential linearized augmented plane‐wave (FP‐LAPW) method within the WIEN2k code, based…
View article: Probing the structural, magneto-electronic, thermophysical, and thermoelectric properties of vanadium-based V<sub>2</sub>MnZ (Z = As, Ga) Heusler alloy: a computational assessment
Probing the structural, magneto-electronic, thermophysical, and thermoelectric properties of vanadium-based V<sub>2</sub>MnZ (Z = As, Ga) Heusler alloy: a computational assessment Open
The structural, magneto-electronic, thermophysical and thermoelectric properties of vanadium-based V 2 MnZ (Z = As, Ga) alloys have been investigated using density functional theory simulation scheme and semiclassical Boltzmann transport m…
View article: Exploring the structural, mechanical, electronic, thermodynamic and thermoelectric properties of caesium based ABX<sub>3</sub> perovskite CsOsX<sub>3</sub> (X: Cl, Br)
Exploring the structural, mechanical, electronic, thermodynamic and thermoelectric properties of caesium based ABX<sub>3</sub> perovskite CsOsX<sub>3</sub> (X: Cl, Br) Open
Here, we have investigated properties of caesium based halide perovskites with the help of density functional theory.
View article: Probing the thermoelectric and optical performance of half-Heusler PtZrX (X = Si, Ge) semiconductors: a first principles investigation
Probing the thermoelectric and optical performance of half-Heusler PtZrX (X = Si, Ge) semiconductors: a first principles investigation Open
The study uses DFT-based calculations via WIEN2k to examine PtZrX alloys (X = Si, Ge), assessing mechanical, electronic, thermal, optical, and thermoelectric properties. PtZrSi and PtZrGe show indirect bandgaps (1.43 eV, 1.32 eV) and therm…
View article: Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb<sub>3</sub> skutterudite
Exploring the multifaceted properties: electronic, magnetic, Curie temperature, elastic, thermal, and thermoelectric characteristics of gadolinium-filled PtSb<sub>3</sub> skutterudite Open
This guide covers skutterudite compounds' structural, physical, electronic, and magnetic properties, offering insights into their metallic behavior through detailed density of states analysis.
View article: Investigating the structural, electronic, magnetic, thermodynamic, and optical properties of rare earth-based halide perovskites CsMCl<sub>3</sub> (M = U, Np, Pu)
Investigating the structural, electronic, magnetic, thermodynamic, and optical properties of rare earth-based halide perovskites CsMCl<sub>3</sub> (M = U, Np, Pu) Open
A detailed study of the physical properties of caesium-based halide perovskites, specifically CsUCl 3 , CsNpCl 3 , and CsPuCl 3 , by full-potential linearized augmented plane wave method has been performed. The stability of the compounds i…
View article: Exploring the electronic structure, mechanical behaviour, thermal and high-temperature thermoelectric response of CoZrSi and CoZrGe Heusler alloys
Exploring the electronic structure, mechanical behaviour, thermal and high-temperature thermoelectric response of CoZrSi and CoZrGe Heusler alloys Open
View article: THz-Driven Coherent Magnetization Dynamics in a Labyrinth Domain State
THz-Driven Coherent Magnetization Dynamics in a Labyrinth Domain State Open
Terahertz (THz) light pulses can be used for an ultrafast coherent manipulation of the magnetization. Driving the magnetization at THz frequencies is currently the fastest way of writing magnetic information in ferromagnets. Using time-res…
View article: Holistic Exploration of Structural, Electronic, Magnetic, Transport, Mechanical, and Thermodynamic Characteristics, Including Curie Temperature Analysis
Holistic Exploration of Structural, Electronic, Magnetic, Transport, Mechanical, and Thermodynamic Characteristics, Including Curie Temperature Analysis Open
Through intricate calculations, the density functional theory (DFT) implemented in the Wien2k code was employed to comprehensively investigate a wide range of material characteristics. Our study encompasses an exhaustive analysis of struct…
View article: CORRELATION OF GLYCATED HEMOGLOBIN AND STROKE RISK IN ELDERLY PATIENTS WITH OR WITHOUT DIABETES ATTENDING TERTIARY GERIATRIC CARE CENTRE
CORRELATION OF GLYCATED HEMOGLOBIN AND STROKE RISK IN ELDERLY PATIENTS WITH OR WITHOUT DIABETES ATTENDING TERTIARY GERIATRIC CARE CENTRE Open
Background : Diabetes poses a major health problem globally and is one of the top five leading causes of death in most developed countries.Diabetes potentiates stroke by favouring atherogenesis and thrombosis.It also increases platelet adh…
View article: IDENTIFICATION OF POTENTIALLY INAPPROPRIATE PRESCRIBING IN OUTPATIENT GERIATRIC CARE USING STOPP START CRITERIA AND THEIR IMPACT ON QUALITY OF LIFE AT DY PATIL HOSPITAL, NAVI MUMBAI
IDENTIFICATION OF POTENTIALLY INAPPROPRIATE PRESCRIBING IN OUTPATIENT GERIATRIC CARE USING STOPP START CRITERIA AND THEIR IMPACT ON QUALITY OF LIFE AT DY PATIL HOSPITAL, NAVI MUMBAI Open
The world's geriatric population continues to increase rapidly.The current statistics indicate that 8.5% of the world's population are aged > 65 years and is expected to increase to 2 17% by 2050 Geriatric population in India has increased…
View article: Understanding the structural, electro-magnetic, mechanical, thermal and transport properties of Strontium based perovskite (SrPrO<sub>3</sub>)
Understanding the structural, electro-magnetic, mechanical, thermal and transport properties of Strontium based perovskite (SrPrO<sub>3</sub>) Open
With the help of density functional theory, we have explored the structural, electro-magnetic, mechanical, thermal and transport properties of SrPrO 3 perovskite. The optimization of energy reveals that the alloy is stable in ferromagnetic…
View article: Exploring the half-metallic ferromagnetism, dynamical and mechanical stability, optoelectronic and thermoelectric properties of K2NaMI6 (M = Mn, Co, Ni) for spintronic applications
Exploring the half-metallic ferromagnetism, dynamical and mechanical stability, optoelectronic and thermoelectric properties of K2NaMI6 (M = Mn, Co, Ni) for spintronic applications Open
View article: Tailoring the intrinsic magneto-electronic, mechanical, thermo- physical and thermoelectric response of Cobalt-based Heusler material: an ab-initio insight
Tailoring the intrinsic magneto-electronic, mechanical, thermo- physical and thermoelectric response of Cobalt-based Heusler material: an ab-initio insight Open
We have calculated the fundamental properties of CoHfSi and CoHfGe half-Heusler alloys within the density functional theory simulation scheme as embedded in Wien2k . First and foremost, the structural optimization signifies that both the a…
View article: Probing the structural, mechanical, phonon, thermal, and transport properties of magnetic halide perovskites XTiBr3 (X = Rb, Cs) through ab-initio results
Probing the structural, mechanical, phonon, thermal, and transport properties of magnetic halide perovskites XTiBr3 (X = Rb, Cs) through ab-initio results Open
View article: Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an <i>ab initio</i> insight
Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an <i>ab initio</i> insight Open
We analysed Co-based HH alloys, confirming their stable half-metallic nature (CoHfSi: 0.87 eV, CoHfGe: 0.97 eV). With ductile properties, they hold potential in spintronics and thermoelectricity. Thermal stability via the quasi-harmonic De…
View article: Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu<sub>4</sub>Z<sub>12</sub> (Z = As<sub>12</sub>, Sb<sub>12</sub>) filled skutterudite materials
Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu<sub>4</sub>Z<sub>12</sub> (Z = As<sub>12</sub>, Sb<sub>12</sub>) filled skutterudite materials Open
The filled skutterudite KRu 4 Z 12 (Z = As 12 , Sb 12 ) crystallizes in the unique BCC structure with space group Im 3̄ and contains 17 atoms per unit cell. The K atom takes the atomic position of (0 0 0), Ru atoms are positioned at (0.25 0…
View article: Correction: Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu<sub>4</sub>Z<sub>12</sub> (Z = As<sub>12</sub>, Sb<sub>12</sub>) filled skutterudite materials
Correction: Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu<sub>4</sub>Z<sub>12</sub> (Z = As<sub>12</sub>, Sb<sub>12</sub>) filled skutterudite materials Open
Correction for ‘Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu 4 Z 12 (Z = As 12 , Sb 12 ) filled skutterudite materials’ by Poorva Nayak et al. , RSC Adv. , 2023,…
View article: Estimation of ice shelf front changes using MODIS data and statistical approach
Estimation of ice shelf front changes using MODIS data and statistical approach Open
The Ronne ice shelf (RIS) dynamics and mass balance play key role to decipher changes in the global climate scenario. The spatio-temporal changes in ice shelf extent of the RIS were studied by dividing the study area into three sectors (I,…
View article: DFT analogue of prospecting the spin-polarised properties of layered perovskites Ba2ErNbO6 and Ba2TmNbO6 influenced by electronic structure
DFT analogue of prospecting the spin-polarised properties of layered perovskites Ba2ErNbO6 and Ba2TmNbO6 influenced by electronic structure Open
View article: Scrutinized the inherent spin half-metallicity and thermoelectric response of f-electron-based RbMO3 (M = Np, Pu) perovskites: a computational assessment
Scrutinized the inherent spin half-metallicity and thermoelectric response of f-electron-based RbMO3 (M = Np, Pu) perovskites: a computational assessment Open
View article: Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology
Potential lead-free small band gap halide double perovskites Cs2CuMCl6 (M = Sb, Bi) for green technology Open