Rapid generation of optimal generalized Monkhorst-Pack grids
Computational modeling of the properties of crystalline materials has become an
increasingly important aspect of materials research, consuming hundreds of millions of CPU …
increasingly important aspect of materials research, consuming hundreds of millions of CPU …
First-principles study of (CsMA)NaSbX6 (MA = methylammonium; X = Cl, Br, I) organic–inorganic hybrid double perovskites for optoelectronic applications
Significant interests have been drawn to organic–inorganic hybrid double perovskites
towards the commercialization of Pb-free non-toxic perovskites because of their unique …
towards the commercialization of Pb-free non-toxic perovskites because of their unique …
First-principles study on composition-dependent properties of quaternary alloys
Y Chen, P Zhu, L Wu, X Chen, P Lu - Modern Physics Letters B, 2020 - World Scientific
The content of bismuth and nitrogen can strongly affect the physical properties of III–V
semiconductors and have a decisive impact on their performance in applications. Using first …
semiconductors and have a decisive impact on their performance in applications. Using first …
Optoelectronic Study of (MA)NaBiX (MA= methylammonium; X=Cl,Br, I) Hybrid Double Perovskites by Ab initio Simulation
A Johnson, TJ Ikyumbur, F Gbaorun - arXiv preprint arXiv:2306.06417, 2023 - arxiv.org
High prospects for different optoelectronic applications have drawn much effort towards
hybrid double perovskites for the commercialization of environmentally friendly Pb-free non …
hybrid double perovskites for the commercialization of environmentally friendly Pb-free non …
Investigation of (CsMA)NaBiX (MA= methylammonium; X=Cl,Br, I) Organic-Inorganic Hybrid Double Perovskites for Optoelectronic Applications: A First Principles …
Organic-inorganic hybrid double perovskites have attracted increasing interest in the
commercialization of lead-free and nontoxic perovskites due to their unique optoelectronic …
commercialization of lead-free and nontoxic perovskites due to their unique optoelectronic …
Strain in BInGaN thin layers grown in nonpolar and semipolar directions
H Yıldırım - The European Physical Journal Plus, 2022 - Springer
Strain properties of BInGaN layers assumed to be grown on GaN, AlN and ZnO substrates in
nonpolar and semipolar directions have been calculated. The strain components in the …
nonpolar and semipolar directions have been calculated. The strain components in the …
First-Principles Calculations on the Electronic, Optical, and Vibrational Properties of Ultrawide-Band-Gap Semiconductor Materials
K Mengle - 2019 - deepblue.lib.umich.edu
First-principles calculations enable an unprecedented atomistic insight to experimentally-
observed phenomena on a massive scale. Such calculations can intelligently guide …
observed phenomena on a massive scale. Such calculations can intelligently guide …