2021
DOI: 10.1039/d1tc03850h
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Atypical phase-change alloy Ga2Te3: atomic structure, incipient nanotectonic nuclei, and multilevel writing

Abstract: Emerging brain-inspired computing needs phase-change materials of the next generation with lower energy consumption and wider temperature range. Gallium tellurides appear to be promising candidates enable to achieve the necessary requirements.

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Cited by 14 publications
(41 citation statements)
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“…The tetrahedral shape of GeX 4 entities clearly shows the orientational order parameter q , , Figure a,b, extended beyond the tetrahedral geometry where ψ jk is the X–Ge–X angle of a given GeX n unit, see also Figure S9 and related more detailed comments. The nontetrahedral fraction is negligible, 2.6%.…”
Section: Resultsmentioning
confidence: 94%
“…The tetrahedral shape of GeX 4 entities clearly shows the orientational order parameter q , , Figure a,b, extended beyond the tetrahedral geometry where ψ jk is the X–Ge–X angle of a given GeX n unit, see also Figure S9 and related more detailed comments. The nontetrahedral fraction is negligible, 2.6%.…”
Section: Resultsmentioning
confidence: 94%
“…This result opens new possibilities for Ga 2 S 3 to design cheap, nontoxic, nonrare-earth, and abundant-element-based devices for SHG, PWS, ferroelectric, pyroelectric, and piezoelectric applications. Moreover, it will guide further works devoted on other III–VI sesquichalcogenides to synthesize α- and β-In 2 Se 3 -like structures not only at HP but also at RC via existing or emerging 2D materials synthesis methods ,,,, or by PLD as β′-Ga 2 Te 3 was recently obtained . Finally, we will propose that the second phase observed on decompression shows a DZ structure and therefore is identified with the γ-Ga 2 S 3 phase observed at HT.…”
Section: Introductionmentioning
confidence: 93%
“…Similarly to defective Ga 2 S 3 phases, the defective nonlayered phases of Ga 2 Se 3 and Ga 2 Te 3 have also been grown in 2D forms: mono-β-Ga 2 Se 3 by chemical close-spaced vapor transport, , low-pressure (LP) CVD, and the sol–gel method; α-Ga 2 Se 3 by molecular beam epitaxy (MBE), , thermal evaporation, and heteroepitaxial growth; and β-Ga 2 Te 3 by LP CVD, , direct synthesis, and PLD . These phases have been used in a number of applications, like in high-performance thermoelectric devices, ,, phase change memories, ,, radiation detectors, , light emitters, , solar-energy devices, ,, SHG, and photocatalytic water splitting (PWS) systems …”
Section: Introductionmentioning
confidence: 99%
“…The FPMD simulations included sample annealing above the glass transition temperature, 56 ps at 500 K for (AgI) 0.1 (As 2 S 3 ) 0.9 and 32 ps at 450 K for (AgBr) 0.5 (As 2 S 3 ) 0.5 , using a Nosé-Hoover thermostat chain controlling the temperature [36,37] and the final modeling over 50 ps or 38 ps at 300 K for the two systems, respectively. Further FPMD details can be found in Supplementary material, including Figures S3 and S4, and elsewhere [38][39][40].…”
Section: First-principles Molecular Dynamics Modelingmentioning
confidence: 99%
“…First neighbor interatomic distances r and partial coordination numbers Nij in (AgI) 0.1 (As 2 S 3 ) 0.9 and (AgBr) 0.5 (As 2 S 3 ) 0.5 glasses.. chemical disorder in chalcogenide glassy systems seems to be a common feature of FPMD simulations using PBE or PBEsol and requires the use of advanced hybrid functionals, TPSS [76,77], BLYP [78][79][80] or PBE0 [38][39][40], to improve the agreement with experiments. Nevertheless, the simulated partial functions reflect reasonably well the diffraction results.…”
Section: Tablementioning
confidence: 99%