ArticleScientific reports2025
Structural, electronic, optical, and thermoelectric properties of CaXO₃ (X = Si, Ge, Ti) perovskite for photovoltaics and optical devices.
Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
1 citing paper in PubMed.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We report a detailed first-principles investigation of the structural, electronic, optical, and thermoelectric properties of CaXO₃ (X = Si, Ge, Ti) perovskites using density functional theory with both GGA and mBJ-GGA functionals. Optimized lattice constants CaSiO₃ (3.6073 Å), CaGeO₃ (3.7775 Å), CaTiO₃ (3.8811 Å) reflect systematic variation with B-site cation size. Energy-volume optimization confirms structural stability, while phonon dispersions show no imaginary frequencies, indicating dynamical stability. All compounds are indirect-gap semiconductors, with band gaps strongly dependent on the computational method. Optical absorption edges span the UV to near-visible range, suggesting promise for optoelectronic and photovoltaic applications. Thermoelectric transport analysis at 400 K reveals favorable Seebeck coefficients and electrical conductivity profiles. Electron density difference mapping for CaGeO₃ highlights mixed ionic-covalent bonding in Ge-O linkages and primarily ionic Ca-O interactions. These integrated findings demonstrate the tunable potential of CaXO₃ perovskites for energy conversion and advanced optical devices.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.