Evidence map›Paper›PMID 41205122›Full record

ArticleJournal of molecular modeling2025

First-principles study on the electronic, transport, optical and mechanical properties of cubic boron phosphide.

Jing-Yi Xia, Juan Gao, Zheng-Tang Liu, Qi-Jun Liu

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Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0cells of the map it votes in
0citing papers in PubMed
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1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Jing-Yi XiaBond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China.
Juan GaoSchool of Science, Xihua University, Chengdu, 610039, People's Republic of China. juangao_8@163.com.
Zheng-Tang LiuState Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an, 710072, People's Republic of China.
Qi-Jun LiuBond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031, People's Republic of China.

Funding

Fundamental Research Funds for the Central Universities 2682024ZTPY054
6 · The paper itself

Abstract

contextThis study employs density functional theory (DFT) to investigate the structural, electronic, transport, optical, and mechanical properties of cubic boron phosphide (c-BP), intending to elucidate its structure-property relationships. The findings reveal that c-BP exhibits an indirect bandgap of 1.93 eV. The valence band maximum (VBM) shows triple degeneracy and pronounced dispersion, resulting in the formation of light-hole bands that provide additional transport channels for holes. A notably high hole mobility of 888.34 cm

methodsAll calculations were performed within the density functional theory (DFT) framework implemented in the CASTEP code, employing norm-conserving pseudopotentials. Structural relaxation used the GGA-PW91 functional, while electronic and optical properties were computed with the HSE06 hybrid functional.

Indexed as

C-BPElectronic propertiesMechanical propertiesOptical propertiesTransport properties

Identifiers

PMID41205122

What OpenQuestion holds

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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.