Thermally driven phase transitions in freestanding low-buckled silicene, germanene, and stanene

Davis, John M.; Orozco-Galvan, Gustavo S.; Barraza‐Lopez, Salvador

doi:10.1103/physrevmaterials.7.054008

Cited by 5 publications

(6 citation statements)

References 49 publications

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“…Unlike silicene [191,192], 2D germanium stabilises on a hexagonal closed packed bilayer structure with ninefold coordination [191,193,194]. Nevertheless, it does form a low-buckled hexagonal configuration when grown on either gold (111) [195] or Ge 2 Pt(101) [153] substrates.…”

Section: Experimental Verification Of a Tunable Electronic Topology I...mentioning

confidence: 99%

“…Ferroic materials are prone to undergo structural phase transitions different from melting at finite temperature, and the structural transformations in figure 24 highlight three ferroic materials: (a) ferroelastic silicene [191,194], (b) the quantum paraelectric SnO monolayer [237,241], and (c) a ferroelectric and ferroelastic SnSe monolayer [239,[242][243][244][245]. Subplots (i) in figure 24 display energy paths joining two degenerate ground state structures through the smallest possible barrier J, while subplots (ii) in figure 24 show the two degenerate structures and a unit cell with the optimal configuration at the height of the barrier J (which has a higher structural symmetry) explicitly.…”

Section: Structural Degeneracies and Ferroicity Of Some 2dmentioning

confidence: 99%

“…At the height of the barrier J, one reaches an atomistic structure with an enhanced symmetry, which is a graphene-like (planar) structure labelled ∆ z = 0 for silicene, and a square unit cell labelled C for the SnO and SnSe monolayers. Now, if the barriers J are sufficiently large (say, larger than 100 K per primitive unit cell) but also sufficiently small (say, smaller than 1000 K per primitive unit cell), then 2D structural transformations into average structures with an enhanced symmetry become possible, as exemplified in the three subplots labelled (iii) in figure 24, which were obtained by ab initio molecular dynamics [26,194,[237][238][239]. The structural transformation of the SnSe monolayer was expressed in terms of the parameter ∆α, a shear strain to be defined in section 3.6.4.…”

Section: Structural Degeneracies and Ferroicity Of Some 2dmentioning

confidence: 99%

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Mechanical, electronic, optical, piezoelectric and ferroic properties of strained graphene and other strained monolayers and multilayers: an update

Naumis,

Herrera,

Poudel

et al. 2023

Rep. Prog. Phys.

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This is an update of a previous review on the subject \cite{Naumis_2017}. Experimental and theoretical advances for straining graphene and other metallic, insulating, ferroelectric, ferroelastic, ferromagnetic and multiferroic 2D materials have been considered. Specific topics of discussion include: (i) methods to induce valley and sublattice polarisation ($\mathbf{P}$) in graphene, (ii) time-dependent strain and its impact on graphene's electronic properties, (iii) the role of local and global strain on superconductivity and other highly correlated and/or topological phases of graphene, inducing polarisation $\mathbf{P}$ on hexagonal boron nitride monolayers {\it via} strain, (iv) measuring strain, and modifying through strain the optoelectronic properties of transition metal dichalcogenides, (v) ferroic 2D materials with intrinsic elastic ($\sigma$), electric ($\mathbf{P}$) and magnetic ($\mathbf{M}$) polarisation under strain, as well as incipient 2D multiferroics and (vi) moir'e bilayers exhibiting flat electronic bands and exotic quantum phase diagrams, and other bilayer or few-layer systems exhibiting ferroic orders tunable by rotations and shear strain. The review features the extremely recent experimental realizations of a tunable two-dimensional Quantum Spin Hall effect in germanene, of monoelemental 2D ferroelectric bismuth, and 2D multiferroic NiI$_2$. The document was structured for a discussion of effects taking place in monolayers first, followed by discussions concerning bilayers and few-layers, and it represents a fresh and up-to-date overview of exciting and newest developments on the fast-paced field of 2D materials.

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Section: Experimental Verification Of a Tunable Electronic Topology I...mentioning

confidence: 99%

Section: Structural Degeneracies and Ferroicity Of Some 2dmentioning

confidence: 99%

Section: Structural Degeneracies and Ferroicity Of Some 2dmentioning

confidence: 99%

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Mechanical, electronic, optical, piezoelectric and ferroic properties of strained graphene and other strained monolayers and multilayers: an update

Naumis,

Herrera,

Poudel

et al. 2023

Rep. Prog. Phys.

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“…Due to the buckling of the honeycomb lattice caused by the Ge-Ge bond length, the spin-orbit gap in single-layer germanium (24 meV) is larger than that of graphene (< 0.05 meV) and other carbon series structures [18,19]. The low buckling structure of germanene [20][21][22], can adjust the electronic structure between insulators, semiconductors, and semimetals, depending on the substrate, strain, and external electric field. This low-buckling structure also facilitates covalent functionalization.…”

Section: Introductionmentioning

confidence: 99%

Mechanical characteristics and thermal conductivity of defect single-layer buckled honeycomb germanene

Tseng,

Bui,

et al. 2024

Phys. Scr.

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This study uses molecular dynamics (MD) simulation to investigate the defect rate, defect morphology, and different temperature effects on the mechanical properties, deformation behavior, and thermal conductivities of a single layer of germanene nanosheets via a tensile process.Samples are squeezed in the middle, leading to filling in minor defects. Young's modulus and yield strength decrease with increasing temperature and defect rates. Young's modulus in the armchair direction is larger than that in the zigzag direction, with the samples with a random porosity of 0 %and 2 % and smaller than the model with a random porosity of 4 % to 10 %. Young's modulus in the armchair direction is larger than in the zigzag order with all the different pore shapes. The yield strength in the armchair direction is smaller than that in the zigzag at all temperatures, all different pore shapes, and all defect rates except for the sample with a random porosity of 2%. The thermal conductivity depends on the sample direction, the defect morphologies due to the shrinkage of membranes are complicated, and all are smaller than the thermal conductivity of a perfect sample. The thermal conductivity of the perfect sample is highest at 300 K.

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“…Furthermore, silicene is ambipolar, in which charge carriers behave as massless Dirac fermions in which π and π * bands touch linearly at the Fermi level and have Dirac points at K and K ′ points of the Brillouin zone. In contrast to the flat honeycomb lattice of graphene, the molecular dynamics and first-principles calculations show that the honeycomb lattice of silicene is not flat and has a stable buckled structure [10][11][12][13][14][15][16][17][18]. The similarities and dissimilarities between silicene and graphene are listed in table 1.…”

Section: Introductionmentioning

confidence: 99%

Flexural and acoustic phonon-drag thermopower and electron energy loss rate in silicene

Ansari,

Ashraf,

Tripathi

et al. 2024

J. Phys.: Condens. Matter

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We have performed a comprehensive numerical and analytical examination of two crucial transport aspects in silicene: the phonon-drag thermopower,S^p,and the electron's energy loss rate,F_e. Specifically, our investigation is centered on their responses to out-of-plane flexural phonons and in-plane acoustic phonons in silicene, a two-dimensional allotrope of silicon as a function of electron temperature, T, and electron concentration, n, upto the room temperature. It is found that the calculated quantities have a non-monotonic dependence for the phonon modes for both parameters (T and n) considered while analytical results predict definite dependencies up to the complete low-temperature Bloch-Gruneisen (BG) regime. To provide a more comprehensive picture, we contrast the complete numerical outcomes with the approximated analytical BG results, revealing a convergence within a specific range of temperature and carrier concentration. In light of this convergence, we put forth suggestions to elucidate the underlying factors responsible for this behavior. A comparison based on the magnitude of the calculated quantities can be made from the figures between the two considered phonon modes, which clearly shows that the out-of-plane flexural phonons are effective throughout the considered temperature range. This observation leads us to posit that the dominating contribution of the out-of-plane flexural phonons modes hinges upon the deformation potential constant and phonon energy associated with the phonon mode. Our study carries significant implications for estimating the electrical and thermal properties of silicene and provides valuable insights for the development of devices based on silicene-based technologies.

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Thermally driven phase transitions in freestanding low-buckled silicene, germanene, and stanene

Cited by 5 publications

References 49 publications

Mechanical, electronic, optical, piezoelectric and ferroic properties of strained graphene and other strained monolayers and multilayers: an update

Mechanical, electronic, optical, piezoelectric and ferroic properties of strained graphene and other strained monolayers and multilayers: an update

Mechanical characteristics and thermal conductivity of defect single-layer buckled honeycomb germanene

Flexural and acoustic phonon-drag thermopower and electron energy loss rate in silicene

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