Работы, на которые ссылается эта работа

Работ: 77

Работа: Density Functional Theory Analysis on the Multifunctional Attributes of Narrow Bandgap Half-Heusler alloys NiHfZ (Z = Si and Ge) via TB-mBJ Approach

BoltzTraP. A code for calculating band-structure dependent quantities
Georg K. H. Madsen, David J. Singh
Статья2006Цитирований: 37
ABI
A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +3
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A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications
Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3
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Tunable opto-electronic and thermoelectric response of alkali based half-Heusler semiconductors AMgN (A = Rb, Cs) for sustainable energy: A computational approach
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2
Статья2024Цитирований: 13
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First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications
Ejaz Ahmad Khera, Abrar Nazir, Mumtaz Manzoor +4
Статья2024Цитирований: 12
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Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations
Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4
СтатьяPerovskite Materials and ApplicationsChemical Physics2024Цитирований: 11
ABI
A DFT Approach to Study the Vacancy Ordered lead free Double Inorganic Perovskites Na2PtX6 (X = Cl, Br) for Sustainable Technologies
Ammar M. Tighezza, Abrar Nazir, Ejaz Ahmad Khera +3
Статья2024Цитирований: 10
ABI
Screening the structural, optoelectronic and thermoelectric features of novel inverse perovskites X3MgNa (X= Cl, Br and I): A theoretical investigation
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4
Статья2024Цитирований: 9
ABI
Theoretical Engineering of Structural, Electronic, and Optical Characteristics of Double Perovskite Sr2XWO6 (X = Co, Zn) for Optical Devices
Abrar Nazir, Ejaz Ahmad Khera, Zeeshan Anjum +3
Статья2024Цитирований: 9
ABI
Probing the opto-electronic, thermoelectric, thermodynamic and elastic responses of lead-free double perovskite Li2ATlCl6 (A = Na and K) for potential photovoltaic and high- energy applications: A DFT study
Qiguo Xiao, Abrar Nazir, Ejaz Ahmad Khera +5
Статья2024Цитирований: 9
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Lead-Free Double Halide Perovskite Compounds: Unveiling the Structural, Optoelectronic, and Transport Properties of A2TlRhF6 (A = K, Rb) for Robust and Sustainable Green Energy Applications
Abrar Nazir, Arti Saxena, Ejaz Ahmad Khera +5
СтатьяPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials2025Цитирований: 7
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High spin polarization and half-metallic ferromagnetism in novel Half–Heusler FeCrX (X = S, Se and Te) alloys using first-principles calculations
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +2
Статья2024Цитирований: 7
ABI
Role of Anion Variation in Physical Properties of Novel Vacancy Ordered Ga2PtX6 (X = Br and I) for Solar Cell and Thermoelectric Applications
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +5
СтатьяChalcogenide Semiconductor Thin FilmsJournal of Inorganic and Organometallic Polymers and Materials2025Цитирований: 6
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Improving the efficiency of FP-LAPW calculations
Max Petersen, Frank R. Wagner, Lars Hufnagel +3
Статья2000Цитирований: 6
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ShengBTE: A solver of the Boltzmann transport equation for phonons
Wu Li, Jesús Carrete, Nebil A. Katcho +1
Статья2014Цитирований: 6
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A DFT Insight on the physical, optoelectronic and thermoelectric characteristics of half-Heusler NaZn(N/P) compounds for power generation applications
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +4
Статья2025Цитирований: 6
ABI
A DFT Approach to Insight on the Structural, Optoelectronic and Thermoelectric Properties of Cubic Perovskites YXO3 (X = Ga, In) for Renewable Energy Applications
Khalid A. Alrashidi, Aparna Dixit, Abrar Nazir +5
Статья2024Цитирований: 5
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Generalized gradient approximation for the exchange-correlation hole of a many-electron system
John P. Perdew, Kieron Burke, Yue Wang
Статья1996Цитирований: 5
ABI
Wide Band Gap Chalcogenide Semiconductors
Rachel Woods-Robinson, Yanbing Han, Hanyu Zhang +4
Статья2020Цитирований: 4
ABI
Comprehensive investigation of half Heusler alloy: Unveiling structural, electronic, magnetic, mechanical, thermodynamic, and transport properties
Bharti Gurunani, Sukriti Ghosh, Dinesh C. Gupta
Статья2024Цитирований: 4
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Density functional theory
Maylis Orio, Dimitrios A. Pantazis, Frank Neese
Обзорная статья2009Цитирований: 4
ABI
First Principle Study of Structural, Electronic, Elastic, and Magnetic Properties of Half-Heusler Compounds ScTiX (X = Si, Ge, Pb, In, Sb, and Tl)
Nasir Rahman, Mudasser Husain, Juan Yang +9
Статья2020Цитирований: 3
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Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler alloys
Bharti Gurunani, Dinesh C. Gupta
Статья2024Цитирований: 3
ABI
Unveiling physical properties of LaMnSb and LuMnSb half-Heusler compounds for green energy applications: A DFT exploration
Qiong Peng, Abrar Nazir, Ejaz Ahmad Khera +5
Статья2025Цитирований: 3
ABI
Insight into the structural, elastic, lattice dynamical, optical, and thermoelectric properties of novel Heusler alloy LiCaBi by first-principles approach
Jisha Annie Abraham, Debidatta Behera, Kshitij Srivastava +5
Статья2023Цитирований: 3
ABI