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Materials under Pressure
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Materials under Pressure

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (17 February 2022) | Viewed by 5889

Special Issue Editors

Dr. Yongmoon Lee

E-Mail Website
Guest Editor
Department of Geological Sciences, Pusan National University, Busan 46241, Republic of Korea
Interests: X-ray diffraction; synchrotron radiation; crystallography; 2-D minerals
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Donghoon Seoung

E-Mail Website
Guest Editor
Department of Earth Systems and Environmental Sciences, Chonnam National University, Gwangju, Korea
Interests: 2-D materials; synchrotron radiation; high-pressure instrumentation; structural analysis; diamond anvil cell

Special Issue Information

Dear Colleagues,

Pressure, like temperature, is one of the fundamental thermodynamic variables. High-pressure research has been advancing in recent decades with the development of various high-pressure instruments and probing techniques using synchrotron radiation light sources. Recent high-pressure research has shed a new light on condensed matter physics, chemistry, and materials science, including high Tc superconductors, exotic metals, pressure-induced transition, auxetic materials, molecular storage of transmitting media, dislocation and grain rotation of nanomaterials, etc. Studies on pressure dimension are rapidly expanding and providing challengeable and potential issues of science and technology.

The upcoming Special Issue, entitled “Materials under High Pressure”, aims to present diverse fields, including 1) experimental, theoretical, and computational research of material physics, chemistry, and application, and 2) synchrotron-based technical approaches and others.

We would like to invite you to submit a manuscript for this Special Issue. Articles, communications, and reviews discussing the latest findings in the high-pressure field are welcome.

Prof. Dr. Yongmoon Lee
Prof. Dr. Donghoon Seoung
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • High-pressure science and technology
  • Synchrotron techniques for high pressure
  • High Tc superconductors
  • Exotic metals
  • Pressure-induced transition
  • Auxetic materials
  • Molecular storage of transmitting media
  • Dislocation and grain rotation of nanomaterials

Published Papers (3 papers)

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Research

28 pages, 6891 KiB  
Article
A DFT-Based Quantitative and Geometric Analysis of the Effect of Pressure on Boron Arsenate
by James N. Grima-Cornish, Liana Vella-Żarb, Joseph N. Grima and Kenneth E. Evans
Materials 2022, 15(14), 4858; https://doi.org/10.3390/ma15144858 - 12 Jul 2022
Cited by 4 | Viewed by 1120
Abstract
Boron arsenate, BAsO4, is a β-cristobalite-like crystal which has been reported to exhibit the rather unusual property of negative linear compressibility behaviour at elevated pressures, that is expanding rather than shrinking in a linear dimension when subjected to pressure. This work [...] Read more.
Boron arsenate, BAsO4, is a β-cristobalite-like crystal which has been reported to exhibit the rather unusual property of negative linear compressibility behaviour at elevated pressures, that is expanding rather than shrinking in a linear dimension when subjected to pressure. This work proposes a ‘geometry—deformation mechanism’-based mathematical model to aid the discernment of the manner how this anomalous pressure behaviour is achieved. The model makes use of data obtained from DFT simulations over an extended range of pressures, including extreme pressure conditions, and rigorously explains the macroscopic properties of this material in terms of the nanoscale deformations. More specifically, through this model, it was possible to decipher the different contributions to the deformation mechanism and compressibility properties of BAsO4. Moreover, for the first time, it was shown that a rule related to the sum of angles of tetrahedrally coordinated atoms is so robust that it applies at the extreme pressures studied here. Full article
(This article belongs to the Special Issue Materials under Pressure)
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14 pages, 5028 KiB  
Article
Pressure-Induced Bandgap Engineering and Tuning Optical Responses of Cd0.25Zn0.75S Alloy for Optoelectronic and Photovoltaic Applications
by Muhammad Aamir Iqbal, Afaq Ahmad, Maria Malik, Jeong Ryeol Choi and Phuong V. Pham
Materials 2022, 15(7), 2617; https://doi.org/10.3390/ma15072617 - 2 Apr 2022
Cited by 7 | Viewed by 1529
Abstract
The manipulation of composition and pressure, which affect the structure and, as a result, lead to new desired properties, is particularly significant for optimizing device performance. By considering the importance of pressure treatment, this study explores bandgap engineering and tuned optical responses of [...] Read more.
The manipulation of composition and pressure, which affect the structure and, as a result, lead to new desired properties, is particularly significant for optimizing device performance. By considering the importance of pressure treatment, this study explores bandgap engineering and tuned optical responses of the ternary Cd0.25Zn0.75S alloy over a pressure range of 0–20 GPa using density functional theory. The functional material exhibits cubic symmetry at all pressures, and its bulk modulus increases with pressure. It is a direct bandgap semiconductor at Γ symmetry point, and its bandgap energy increases from 3.35 eV to 3.86 eV with an increase in pressure. Optical properties change with pressure, such that the absorption coefficient increases and absorbs near-ultraviolet light, while the static dielectric constant and static refractive index both increase with pressure. The effects of pressure on other optical parameters such as dielectric constant, extinction coefficient, refractive index, optical conductivity, and reflection are also explored. These findings provide significant theoretical guidance for the use of the Cd0.25Zn0.75S semiconductor in fabricating optoelectronic and photovoltaic devices functioning at varying pressure ranges and altitudes. Full article
(This article belongs to the Special Issue Materials under Pressure)
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27 pages, 4010 KiB  
Article
Phase Stability of Iron Nitride Fe4N at High Pressure—Pressure-Dependent Evolution of Phase Equilibria in the Fe–N System
by Marius Holger Wetzel, Tina Trixy Rabending, Martin Friák, Monika Všianská, Mojmír Šob and Andreas Leineweber
Materials 2021, 14(14), 3963; https://doi.org/10.3390/ma14143963 - 15 Jul 2021
Cited by 9 | Viewed by 2570
Abstract
Although the general instability of the iron nitride γ′-Fe4N with respect to other phases at high pressure is well established, the actual type of phase transitions and equilibrium conditions of their occurrence are, as of yet, poorly investigated. In the present [...] Read more.
Although the general instability of the iron nitride γ′-Fe4N with respect to other phases at high pressure is well established, the actual type of phase transitions and equilibrium conditions of their occurrence are, as of yet, poorly investigated. In the present study, samples of γ′-Fe4N and mixtures of α Fe and γ′-Fe4N powders have been heat-treated at temperatures between 250 and 1000 °C and pressures between 2 and 8 GPa in a multi-anvil press, in order to investigate phase equilibria involving the γ′ phase. Samples heat-treated at high-pressure conditions, were quenched, subsequently decompressed, and then analysed ex situ. Microstructure analysis is used to derive implications on the phase transformations during the heat treatments. Further, it is confirmed that the Fe–N phases in the target composition range are quenchable. Thus, phase proportions and chemical composition of the phases, determined from ex situ X-ray diffraction data, allowed conclusions about the phase equilibria at high-pressure conditions. Further, evidence for the low-temperature eutectoid decomposition γ′→α+ε′ is presented for the first time. From the observed equilibria, a P–T projection of the univariant equilibria in the Fe-rich portion of the Fe–N system is derived, which features a quadruple point at 5 GPa and 375 °C, above which γ′-Fe4N is thermodynamically unstable. The experimental work is supplemented by ab initio calculations in order to discuss the relative phase stability and energy landscape in the Fe–N system, from the ground state to conditions accessible in the multi-anvil experiments. It is concluded that γ′-Fe4N, which is unstable with respect to other phases at 0 K (at any pressure), has to be entropically stabilised in order to occur as stable phase in the system. In view of the frequently reported metastable retention of the γ′ phase during room temperature compression experiments, energetic and kinetic aspects of the polymorphic transition γ′⇌ε′ are discussed. Full article
(This article belongs to the Special Issue Materials under Pressure)
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