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Electronic, magnetic, and optical properties of Mn-doped GaSb: A first-principles study
Elsevier | 2019|Keywords: First-principles -
Soft Mode Driven Monoclinic Phase in Multiferroic BiFeO3
Taylor & Francis Verlag | 2011|Keywords: First-principles -
Stable ferromagnetism and high Curie temperature in VGe2N4
Free accessIOP Institute of Physics | 2022|Keywords: first-principles calculations -
First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf
Elsevier | 2013|Keywords: First-principles calculations -
Structural, magnetic and topological properties in rare-earth-adsorbed silicene system
Elsevier | 2019|Keywords: First-principles calculation -
Strain-tunable magnetic order and electronic structure in 2D CrAsS4
Elsevier | 2019|Keywords: First-principles -
Strain‐Induced Magnetism in MSi2N4 (M = V, Cr): A First‐Principles Study
Wiley | 2021|Keywords: first‐principles -
Structural, electronic and thermodynamic properties of BiF3-type Mg3Gd compound: A first-principle study
Elsevier | 2013|Keywords: First principles -
Mechanical, electronic and thermodynamic properties of C14-type AMg2 (A=Ca, Sr and Ba) compounds from first principles calculations
Elsevier | 2014|Keywords: First-principles calculations -
Thickness-dependent thermoelectric transporting properties of few-layered SnSe
Elsevier | 2021|Keywords: First-principles calculation -
Modelling and prediction of hardness in multi-component alloys: A combined machine learning, first principles and experimental study
Elsevier | 2020|Keywords: First-principles -
Predictions of mechanical and thermodynamic properties of Mg17Al12 and Mg2Sn from first-principles calculations
Taylor & Francis Verlag | 2015|Keywords: first-principles calculations -
Mechanical and thermodynamic properties of Al3Sc and Al3Li precipitates in Al–Li–Sc alloys from first-principles calculations
Elsevier | 2013|Keywords: First-principles -
Revisiting the third-order elastic constants of diamond: The higher-order effect
Elsevier | 2021|Keywords: First principles -
A systematic study of interface properties and fracture behavior of graphene/aluminum: Insights from a first-principles study
Elsevier | 2022|Keywords: First-principles calculations -
First-principles calculations of the stability and hydrogen storage behavior of C14 Laves phase compound TiCrMn
Elsevier | 2014|Keywords: First-principles -
Density-functional study on the robust ferromagnetism in rare-earth element Yb-doped SnO2
Elsevier | 2013|Keywords: First-principles study -
First-principles study on the electronic and optical properties of F- and Nb-doped anatase TiO2
Elsevier | 2011|Keywords: First-principles -
First-principles study of bcc Fe-Cr-Si binary and ternary random alloys from special quasi-random structure
Elsevier | 2020|Keywords: First-principles
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