Revealing the Pressure-Induced Softening/Weakening Mechanism in Representative Covalent Materials

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F21%3A10247680" target="_blank" >RIV/61989100:27640/21:10247680 - isvavai.cz</a>

Alternative codes found

RIV/61989100:27740/21:10247680

Result on the web

<a href="https://iopscience.iop.org/article/10.1088/0256-307X/38/5/056101/meta" target="_blank" >https://iopscience.iop.org/article/10.1088/0256-307X/38/5/056101/meta</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/0256-307X/38/5/056101" target="_blank" >10.1088/0256-307X/38/5/056101</a>

Result language

angličtina

Original language name

Revealing the Pressure-Induced Softening/Weakening Mechanism in Representative Covalent Materials

Original language description

Diamond, cubic boron nitride (c-BN), silicon (Si), and germanium (Ge), as examples of typical strong covalent materials, have been extensively investigated in recent decades, owing to their fundamental importance in material science and industry. However, an in-depth analysis of the character of these materials&apos; mechanical behaviors under harsh service environments, such as high pressure, has yet to be conducted. Based on several mechanical criteria, the effect of pressure on the mechanical properties of these materials is comprehensively investigated. It is demonstrated that, with respect to their intrinsic brittleness/ductile nature, all these materials exhibit ubiquitous pressure-enhanced ductility. By analyzing the strength variation under uniform deformation, together with the corresponding electronic structures, we reveal for the first time that the pressure-induced mechanical softening/weakening exhibits distinct characteristics between diamond and c-BN, owing to the differences in their abnormal charge-depletion evolution under applied strain, whereas a monotonous weakening phenomenon is observed in Si and Ge. Further investigation into dislocation-mediated plastic resistance indicates that the pressure-induced shuffle-set plane softening in diamond (c-BN), and weakening in Si (Ge), can be attributed to the reduction of antibonding states below the Fermi level, and an enhanced metallization, corresponding to the weakening of the bonds around the slipped plane with increasing pressure, respectively. These findings not only reveal the physical mechanism of pressure-induced softening/weakening in covalent materials, but also highlights the necessity of exploring strain-tunable electronic structures to emphasize the mechanical response in such covalent materials.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

<a href="/en/project/EF16_013%2F0001791" target="_blank" >EF16_013/0001791: IT4Innovations national supercomputing center - path to exascale</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Chinese Physics Letters

ISSN

0256-307X

e-ISSN

—

Volume of the periodical

38

Issue of the periodical within the volume

5

Country of publishing house

GB - UNITED KINGDOM

Number of pages

9

Pages from-to

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UT code for WoS article

000657924100001

EID of the result in the Scopus database

2-s2.0-85108438762