Ushbu ish iqtibos qilgan ishlar

60 ta ish

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

The Compressibility of Media under Extreme Pressures
F. D. Murnaghan
Maqola194434 iqtibos
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
Maqola202418 iqtibos
ABI
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
Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3
Maqola202415 iqtibos
ABI
New tolerance factor to predict the stability of perovskite oxides and halides
Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4
Maqola201914 iqtibos
ABI
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
Maqola202410 iqtibos
ABI
DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6
MaqolaAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 iqtibos
ABI
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
Maqola20127 iqtibos
ABI
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
Maqola20247 iqtibos
ABI
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
Maqola20256 iqtibos
ABI
Improving the modified Becke-Johnson exchange potential
Dávid Koller, Fabien Tran, Peter Blaha
Maqola20125 iqtibos
ABI
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
John P. Perdew, Kieron Burke, Yue Wang
Maqola19965 iqtibos
ABI
A review of emerging non-volatile memory (NVM) technologies and applications
An Chen
Sharh maqola20163 iqtibos
ABI
High-throughput electronic band structure calculations: Challenges and tools
Wahyu Setyawan, Stefano Curtarolo
Maqola20103 iqtibos
ABI
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
Maqola20153 iqtibos
ABI
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
Maqola20213 iqtibos
ABI
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
Yanfa Yan, Shengbai Zhang, Sokrates T. Pantelides
Maqola20013 iqtibos
ABI
Ab Initio Study of Electronic Structure, Elastic and Transport Properties of Fluoroperovskite LiBeF3
H. Benmhidi, H. Rached, D. Rached +1
Maqola20162 iqtibos
ABI
Elastic constants of cubic crystals
M. Jamal, S. Jalali-Asadabadi, Iftikhar Ahmad +1
Maqola20142 iqtibos
ABI
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
Maqola20172 iqtibos
ABI
Structural, thermodynamics, optical, electronic, magnetic and thermoelectric properties of Heusler Ni2MnGa: An ab initio calculations
I. Ait Elkoua, R. Masrour
Maqola20222 iqtibos
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
Maqola20222 iqtibos
ABI
First-principle investigation of LiSrX (X=P and As) half-Heusler semiconductor compounds
A. Azouaoui, A. Harbi, M. Moutaabbid +7
Maqola20222 iqtibos
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
Maqola20222 iqtibos
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
Maqola20222 iqtibos
ABI
Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U methods
M.Y. Raïâ, R. Masrour, M. Hamedoun +5
Maqola20232 iqtibos
ABI

Ushbu ish iqtibos qilgan ishlar

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