First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X= Cl, Br)
D Behera, SK Mukherjee - Materials Science and Engineering: B, 2023 - Elsevier
In the present investigation, we examined the structural, elastic, electronic, optical as well as
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …
First-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy …
In the current study, we analyzed the structural, mechanical, optoelectronics as well as
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …
First principles studies on optoelectronics and transport properties of KSrY (Y= Sb, Bi) for renewable energy application
D Behera, S Al-Qaisi, M Manzoor, R Sharma… - Materials Science and …, 2023 - Elsevier
Currently, producing equipment and goods of all kinds that are economical, energy-efficient,
and ecologically friendly is the main objective. In this study, an attempt has been made to …
and ecologically friendly is the main objective. In this study, an attempt has been made to …
A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new Double Perovskite Oxide Pb2ScBiO6
In this paper, using the FP-LAPW technique as implemented in the Wien2k code, we have
studied the structural, electronic, optical, and thermoelectric properties of lead-based double …
studied the structural, electronic, optical, and thermoelectric properties of lead-based double …
Optoelectronics and Transport Phenomena in Rb2InBiX6 (X = Cl, Br) Compounds for Renewable Energy Applications: A DFT Insight
D Behera, SK Mukherjee - Chemistry, 2022 - mdpi.com
In this study, we used the FP-LAPW technique based on density functional theory applied in
WIEN2k code to examine the structural, electronic, elastic, and thermoelectric properties of …
WIEN2k code to examine the structural, electronic, elastic, and thermoelectric properties of …
Investigated the structural, optoelectronic, mechanical, and thermoelectric properties of Sr2BTaO6 (B = Sb, Bi) for solar cell applications
Density functional theory was used to investigate the unit structure of Sr2BTaO6 (B= Sb, Bi)
double perovskite oxides. The full‐potential linearized augmented plane wave technique is …
double perovskite oxides. The full‐potential linearized augmented plane wave technique is …
Theoretical Investigation of the Lead-Free K2InBiX6 (X = Cl, Br) Double Perovskite Compounds Using Ab Initio Calculation
D Behera, SK Mukherjee - JETP Letters, 2022 - Springer
In this study, we employ the full potential linearized augmented plane wave technique based
on density functional theory applied in the WIEN2k code to examine the structural, elastic …
on density functional theory applied in the WIEN2k code to examine the structural, elastic …
Structural, elastic, mechanical, and thermodynamic characteristic of NaReO3 and KReO3 perovskite oxides from first principles study
The density functional theory was used in the present study to analyse the structural,
electronic, mechanical and thermodynamic properties of the perovskite oxides XReO3 …
electronic, mechanical and thermodynamic properties of the perovskite oxides XReO3 …
Theoretical insight on the electronic band structure, mechanical, vibrational and thermodynamic characteristic of antiperovskites RE3InN (RE= Y and La)
The purpose of the current work is to examine the structural, elastic, phonon, and
thermodynamic features of antiperovskites RE 3 InN (RE= Y and La) compounds using the …
thermodynamic features of antiperovskites RE 3 InN (RE= Y and La) compounds using the …
A Comprehensive First-Principles Investigation of SnTiO3 Perovskite for Optoelectronic and Thermoelectric Applications
In this work, the structural, elastic, electronic, thermodynamic, optical, and thermoelectric
properties of cubic phase SnTiO3 employing first-principles calculation are examined. The …
properties of cubic phase SnTiO3 employing first-principles calculation are examined. The …