2022
DOI: 10.1039/d1na00553g
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Stability and electronic properties of gallenene

Abstract: Two-dimensional metals offer intriguing possibilities to explore metallicity and other related properties in systems with reduced dimensionality. Here, following recent experimental reports of synthesis of two-dimensional metallic gallium (gallenene) on...

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Cited by 7 publications
(3 citation statements)
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“…The wavering stability of 2D metals makes experiments challenging, whereby research relies heavily on computations. A reasonable description of metallic bonding requires electronic structure simulations, which has made the densityfunctional theory (DFT) [15,16] the workhorse method for modeling 2D metals [17][18][19][20][21][22][23][24][25][26][27][28][29][30][31]. Most DFT studies have chosen plane wave (PW) basis sets [32] and the nonempirical Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional [33].…”
Section: Introductionmentioning
confidence: 99%
“…The wavering stability of 2D metals makes experiments challenging, whereby research relies heavily on computations. A reasonable description of metallic bonding requires electronic structure simulations, which has made the densityfunctional theory (DFT) [15,16] the workhorse method for modeling 2D metals [17][18][19][20][21][22][23][24][25][26][27][28][29][30][31]. Most DFT studies have chosen plane wave (PW) basis sets [32] and the nonempirical Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional [33].…”
Section: Introductionmentioning
confidence: 99%
“…The absence of imaginary modes in phonon dispersions of TiB 2 , VB 2 , FeB 2 , ZrB 2 , HfB 2 , and WB 2 implies the dynamical stability of these MBenes, as presented in figure S1 of supplementary material, while few MBenes contains large imaginary frequencies (ScB 2 , CrB 2 , MnB 2 , YB 2 , and MoB 2 , as presented in figure S1 of supplementary material) indicating their dynamical instability. However, low imaginary frequencies (small negative spectra) have been observed near the Γ point for NbB 2 and TaB 2 , which are often regarded as artifacts and observed in phonon spectra of 2D systems, as observed in borophene monolayer which has been recently synthesized [38], and in 2D gallium (gallenene) [39] as well, both of which are regarded as stable 2D materials. In the experimental manifestations, such small imaginary frequencies can be removed by applying small strain or depositing the 2D layer onto proper substrate with minimal lattice mismatch [38,40].…”
Section: Structural and Stability Analysismentioning
confidence: 99%
“…[9] Recently, ultrathin gallium films, also known as gallenene, have received considerable interests due to the potential application in the emerging elemental 2D materials. [10][11][12][13][14][15][16][17][18][19][20] By means of solid-melt exfoliation, Kochat et al fabricated the atomically thin gallium films, i.e., gallenene sheets, on silicon substrates. [10] Tao et al realized the epitax-ial growth of gallenene monolayer on the Si(111)-√ 3× √ 3-Ga template.…”
Section: Introductionmentioning
confidence: 99%