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Calculated effects of disorder on the Mo core levels in purple bronze Li$_2$Mo$_{12}$O$_{34}$

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Paper breakdownThe authors' claims, conditions and measurements, as JSON Signed receiptProof this review has not been altered
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T. Jarlborg

Materials Science · Submitted 30 Jan 2018

abstract compiled · 2026-09-23 · no language-model review

The authors' main claim It is shown that thermal disorder and zero-point motion lead to substantial core level broadening, and the broadening at room temperature is predicted to be sufficiently larger than at zero degrees to allow for a detection by XPS measurements.

how it is stated · asserted 0.96 read the record →

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arXiv ID1801.09917 (version 1)
Pith IDFT5UYGMR, Pith's permanent record of this paper and its review
CitationT. Jarlborg. "Calculated effects of disorder on the Mo core levels in purple bronze Li$_2$Mo$_{12}$O$_{34}$." arXiv:1801.09917 (2018). https://pith.science/paper/FT5UYGMR
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The compiled record

The paper's own sentences, arranged. Each label is drawn from a closed vocabulary; the number beside it is the probability the classifier gave that label. Numbers in the tables are the authors', checked by code. No sentence in this record was written by a model.

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Compiled by classifier-1.13.0 via TypeSafe API, question bank abstract-p1-20260923, 2026-09-23: 1 request, 4,377 input tokens.

What the abstract itself states, as probabilities: claims first 0.03 · states limitation 0.90 · human participants 0.01 · controlled comparison 0.45 · randomized assignment 0.01 · states quantitative result 0.84 · compares with prior results 0.33 · mentions code or data availability 0.02.

The abstract, sentence by sentence

arXiv listing abstract v1. Results and the main claim are underlined; .

The band structures of ordered and thermally disordered Li$_2$Mo$_{12}$O$_{34}$ are calculated by use of ab-initio DFT-LMTO method with focus on the behavior of the Mo 3d-core levels. It is shown that thermal disorder and zero-point motion lead to substantial core level broadening, and the broadening at room temperature is predicted to be sufficiently larger than at zero degrees to allow for a detection by XPS measurements. However, real purple bronze has 10 percent of Li vacancies and static disorder will attenuate the $T$-dependent broadening. It is argued that core level spectroscopies could be a useful tool for measuring of thermal disorders in many materials, especially for those with minor static disorder. Studies of core levels in magnetic materials will be helpful for an understanding of $T$-dependent spin moments.

background contribution method result interpretation main claim

What the classifier reports for each sentence. The number is the probability it gave the label.
#sentencerolethe authors' own workstates the main conclusionstrength
s0 The band structures of ordered and thermally disordered Li$_2$Mo$_{12}$O$_{34}$ are calculated by use of ab-initio DFT-LMTO method with focus on the behavior of the Mo 3d-core levels. method 0.65 0.93 0.05 asserted 0.98
s1 It is shown that thermal disorder and zero-point motion lead to substantial core level broadening, and the broadening at room temperature is predicted to be sufficiently larger than at zero degrees to allow for a detection by XPS measurements. result 1.00 0.87 0.62 asserted 0.96
s2 However, real purple bronze has 10 percent of Li vacancies and static disorder will attenuate the $T$-dependent broadening. limitation 0.81 0.32 0.11 asserted 1.00
s3 It is argued that core level spectroscopies could be a useful tool for measuring of thermal disorders in many materials, especially for those with minor static disorder. interpretation 0.84 0.22 0.48 hedged possibility 1.00
s4 Studies of core levels in magnetic materials will be helpful for an understanding of $T$-dependent spin moments. future work 0.86 0.07 0.06 hedged possibility 0.89

What kind of paper the classifier reports this is: simulation study 0.99 · evidence from simulation or computation 1.00.

What was examined, and what was not

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not examined
  • full text
  • figures and tables
  • references and citing sentences
  • relations to other papers
levels run
  • P abstract
not run
  • S sections
  • T body sentences
  • C citations
  • R cross-paper relations

Every quoted sentence on this record is the authors'. Every label is from Pith's closed vocabulary, with the probability shown beside it. Every number in the measurements table is the authors', checked by code. Record as JSON

The paper
Original abstract

The band structures of ordered and thermally disordered Li$_2$Mo$_{12}$O$_{34}$ are calculated by use of ab-initio DFT-LMTO method with focus on the behavior of the Mo 3d-core levels. It is shown that thermal disorder and zero-point motion lead to substantial core level broadening, and the broadening at room temperature is predicted to be sufficiently larger than at zero degrees to allow for a detection by XPS measurements. However, real purple bronze has 10 percent of Li vacancies and static disorder will attenuate the $T$-dependent broadening. It is argued that core level spectroscopies could be a useful tool for measuring of thermal disorders in many materials, especially for those with minor static disorder. Studies of core levels in magnetic materials will be helpful for an understanding of $T$-dependent spin moments.

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