Works cited by this work

60 works

Work: Ab initio insights into the physical properties of cubic CeFeO3 perovskite

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ABI
A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites
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A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A2YAuI6 (A = Rb, Cs) for solar cell and renewable energy applications
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New tolerance factor to predict the stability of perovskite oxides and halides
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Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl3 via DFT‐mBJ + SOC Studies
Ejaz Ahmad Khera, Abrar Nazir, Zubair Ahmed +5
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DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6
ArticleAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 citations
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Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties
Jorge M. del Campo, José L. Gázquez, S. B. Trickey +1
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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
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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
Article20256 citations
ABI
Improving the modified Becke-Johnson exchange potential
Dávid Koller, Fabien Tran, Peter Blaha
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Generalized gradient approximation for the exchange-correlation hole of a many-electron system
John P. Perdew, Kieron Burke, Yue Wang
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A review of emerging non-volatile memory (NVM) technologies and applications
An Chen
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High-throughput electronic band structure calculations: Challenges and tools
Wahyu Setyawan, Stefano Curtarolo
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Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys
Zhen Li, Mengjin Yang, Ji‐Sang Park +3
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Recent progress of perovskite-based electrolyte materials for solid oxide fuel cells and performance optimizing strategies for energy storage applications
Muhammad Bilal Hanif, Sajid Rauf, Martin Motola +4
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Control of Doping by Impurity Chemical Potentials: Predictions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">p</mml:mi></mml:math>-Type ZnO
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Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3
H. Benmhidi, H. Rached, D. Rached +1
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Elastic constants of cubic crystals
M. Jamal, S. Jalali-Asadabadi, Iftikhar Ahmad +1
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DFT-Mbj Study of Electronic and Magnetic Properties of Cubic Cecro3 Compound: An Ab-Initio Investigation
Md. Mamun Or Rashid, M. A. Iqbal, N. A. Noor
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Structural, thermodynamics, optical, electronic, magnetic and thermoelectric properties of Heusler Ni2MnGa: An ab initio calculations
I. Ait Elkoua, R. Masrour
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ABI
Effect of L21 and XA ordering on structural, martensitic, electronic, magnetic, elastic, thermal and thermoelectric properties of Co2FeGe Heusler alloys
M.Y. Raïâ, R. Masrour, M. Hamedoun +5
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ABI
First-principle investigation of LiSrX (X=P and As) half-Heusler semiconductor compounds
A. Azouaoui, A. Harbi, M. Moutaabbid +7
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ABI
Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations
M.Y. Raïâ, R. Masrour, M. Hamedoun +5
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ABI
Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + U approaches
M.Y. Raïâ, R. Masrour, M. Hamedoun +5
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Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U methods
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ABI

Works cited by this work

The Compressibility of Media under Extreme Pressures

A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites

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

New tolerance factor to predict the stability of perovskite oxides and halides

Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl<sub>3</sub> via DFT‐mBJ + SOC Studies

DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

Non-empirical improvement of PBE and its hybrid PBE0 for general description of molecular properties

High spin polarization and half-metallic ferromagnetism in novel Half–Heusler FeCrX (X = S, Se and Te) alloys using first-principles calculations

A DFT Insight on the physical, optoelectronic and thermoelectric characteristics of half-Heusler NaZn(N/P) compounds for power generation applications

Improving the modified Becke-Johnson exchange potential

Generalized gradient approximation for the exchange-correlation hole of a many-electron system

A review of emerging non-volatile memory (NVM) technologies and applications

High-throughput electronic band structure calculations: Challenges and tools

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys

Recent progress of perovskite-based electrolyte materials for solid oxide fuel cells and performance optimizing strategies for energy storage applications

Control of Doping by Impurity Chemical Potentials: Predictions for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">p</mml:mi></mml:math>-Type ZnO

Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3

Elastic constants of cubic crystals

DFT-Mbj Study of Electronic and Magnetic Properties of Cubic Cecro3 Compound: An Ab-Initio Investigation

Structural, thermodynamics, optical, electronic, magnetic and thermoelectric properties of Heusler Ni2MnGa: An ab initio calculations

Effect of L21 and XA ordering on structural, martensitic, electronic, magnetic, elastic, thermal and thermoelectric properties of Co2FeGe Heusler alloys

First-principle investigation of LiSrX (X=P and As) half-Heusler semiconductor compounds

Structural, Electronic, Magnetic, Elastic, Thermoelectric, and Thermal Properties of Co2FeGa1−xSix Heusler Alloys: First-Principles Calculations

Diluted effect on the structural, magnetic, electronic, thermodynamic, optical and thermoelectric properties of the Heusler alloys Co2Fe1−xTixGa: GGA and GGA + U approaches

Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L2<sub>1</sub> and xa phases of Ti<sub>2</sub>fege heusler compound: GGA and GGA+U methods