Research article

Variation of the electronic properties of the silicene nanosheet passivated by hydrogen atoms: A DFT investigation

  • Using the first-principles calculations, the electronic properties of hydrogenated silicene (H-silicene) has been investigated. The influence of the hydrogenation on the bandgap and I-V characteristics of the silicene is evaluated. It is shown that the H-silicene has an indirect band gap, with the value of 2.33 eV while silicene nanosheet represents a semi-metallic behavior with a zero band gap and Dirac cone at the Fermi level. Some unique properties of H-silicene is observed which make it ideal for variety of applications in designing spintronic devices, optoelectronics devices, transparent conducting electrodes, and integrated circuits.

    Citation: Hosein Alavi-Rad, Azadeh Kiani-Sarkaleh, Saeed Rouhi, Abbas Ghadimi. Variation of the electronic properties of the silicene nanosheet passivated by hydrogen atoms: A DFT investigation[J]. AIMS Materials Science, 2019, 6(6): 1010-1019. doi: 10.3934/matersci.2019.6.1010

    Related Papers:

    [1] Tingting Du, Zhengang Wu . Some identities of the generalized bi-periodic Fibonacci and Lucas polynomials. AIMS Mathematics, 2024, 9(3): 7492-7510. doi: 10.3934/math.2024363
    [2] Tingting Du, Zhengang Wu . Some identities involving the bi-periodic Fibonacci and Lucas polynomials. AIMS Mathematics, 2023, 8(3): 5838-5846. doi: 10.3934/math.2023294
    [3] Hong Kang . The power sum of balancing polynomials and their divisible properties. AIMS Mathematics, 2024, 9(2): 2684-2694. doi: 10.3934/math.2024133
    [4] Utkal Keshari Dutta, Prasanta Kumar Ray . On the finite reciprocal sums of Fibonacci and Lucas polynomials. AIMS Mathematics, 2019, 4(6): 1569-1581. doi: 10.3934/math.2019.6.1569
    [5] Waleed Mohamed Abd-Elhameed, Omar Mazen Alqubori . New expressions for certain polynomials combining Fibonacci and Lucas polynomials. AIMS Mathematics, 2025, 10(2): 2930-2957. doi: 10.3934/math.2025136
    [6] Kritkhajohn Onphaeng, Prapanpong Pongsriiam . Exact divisibility by powers of the integers in the Lucas sequence of the first kind. AIMS Mathematics, 2020, 5(6): 6739-6748. doi: 10.3934/math.2020433
    [7] Ala Amourah, B. A. Frasin, G. Murugusundaramoorthy, Tariq Al-Hawary . Bi-Bazilevič functions of order ϑ+iδ associated with (p,q) Lucas polynomials. AIMS Mathematics, 2021, 6(5): 4296-4305. doi: 10.3934/math.2021254
    [8] Can Kızılateş, Halit Öztürk . On parametric types of Apostol Bernoulli-Fibonacci, Apostol Euler-Fibonacci, and Apostol Genocchi-Fibonacci polynomials via Golden calculus. AIMS Mathematics, 2023, 8(4): 8386-8402. doi: 10.3934/math.2023423
    [9] Abdulmtalb Hussen, Mohammed S. A. Madi, Abobaker M. M. Abominjil . Bounding coefficients for certain subclasses of bi-univalent functions related to Lucas-Balancing polynomials. AIMS Mathematics, 2024, 9(7): 18034-18047. doi: 10.3934/math.2024879
    [10] Waleed Mohamed Abd-Elhameed, Amr Kamel Amin, Nasr Anwer Zeyada . Some new identities of a type of generalized numbers involving four parameters. AIMS Mathematics, 2022, 7(7): 12962-12980. doi: 10.3934/math.2022718
  • Using the first-principles calculations, the electronic properties of hydrogenated silicene (H-silicene) has been investigated. The influence of the hydrogenation on the bandgap and I-V characteristics of the silicene is evaluated. It is shown that the H-silicene has an indirect band gap, with the value of 2.33 eV while silicene nanosheet represents a semi-metallic behavior with a zero band gap and Dirac cone at the Fermi level. Some unique properties of H-silicene is observed which make it ideal for variety of applications in designing spintronic devices, optoelectronics devices, transparent conducting electrodes, and integrated circuits.


    Fibonacci polynomials and Lucas polynomials are important in various fields such as number theory, probability theory, numerical analysis, and physics. In addition, many well-known polynomials, such as Pell polynomials, Pell Lucas polynomials, Tribonacci polynomials, etc., are generalizations of Fibonacci polynomials and Lucas polynomials. In this paper, we extend the linear recursive polynomials to nonlinearity, that is, we discuss some basic properties of the bi-periodic Fibonacci and Lucas polynomials.

    The bi-periodic Fibonacci {fn(t)} and Lucas {ln(t)} polynomials are defined recursively by

    f0(t)=0,f1(t)=1,fn(t)={ayfn1(t)+fn2(t)n0(mod2),byfn1(t)+fn2(t)n1(mod2),n2,

    and

    l0(t)=2,l1(t)=at,ln(t)={byln1(t)+ln2(t)n0(mod2),ayln1(t)+ln2(t)n1(mod2),n2,

    where a and b are nonzero real numbers. For t=1, the bi-periodic Fibonacci and Lucas polynomials are, respectively, well-known bi-periodic Fibonacci {fn} and Lucas {ln} sequences. We let

    ς(n)={0n0(mod2),1n1(mod2),n2.

    In [1], the scholars give the Binet formulas of the bi-periodic Fibonacci and Lucas polynomials as follows:

    fn(t)=aς(n+1)(ab)n2(σn(t)τn(t)σ(t)τ(t)), (1.1)

    and

    ln(t)=aς(n)(ab)n+12(σn(t)+τn(t)), (1.2)

    where n0, σ(t), and τ(t) are zeros of λ2abtλab. This is σ(t)=abt+a2b2t2+4ab2 and τ(t)=abta2b2t2+4ab2. We note the following algebraic properties of σ(t) and τ(t):

    σ(t)+τ(t)=abt,σ(t)τ(t)=a2b2t2+4ab,σ(t)τ(t)=ab.

    Many scholars studied the properties of bi-periodic Fibonacci and Lucas polynomials; see [2,3,4,5,6]. In addition, many scholars studied the power sums problem of second-order linear recurrences and its divisible properties; see [7,8,9,10].

    Taking a=b=1 and t=1, we obtain the Fibonacci {Fn} or Lucas {Ln} sequence. Melham [11] proposed the following conjectures:

    Conjecture 1. Let m1 be an integer, then the sum

    L1L3L5L2m+1nk=1F2m+12k

    can be represented as (F2n+11)2R2m1(F2n+1), including R2m1(t) as a polynomial with integer coefficients of degree 2m1.

    Conjecture 2. Let m1 be an integer, then the sum

    L1L3L5L2m+1nk=1L2m+12k

    can be represented as (L2n+11)Q2m(L2n+1), where Q2m(t) is a polynomial with integer coefficients of degree 2m.

    In [12], the authors completely solved the Conjecture 2 and discussed the Conjecture 1. Using the definition and properties of bi-periodic Fibonacci and Lucas polynomials, the power sums problem and their divisible properties are studied in this paper. The results are as follows:

    Theorem 1. We get the identities

    nk=1f2m+12k(t)=a2m+1b(a2b2t2+4ab)mmj=0(1)mj(2m+1mj)(f(2n+1)(2j+1)(t)f2j+1(t)l2j+1(t)), (1.3)
    nk=1f2m+12k+1(t)=(ab)m(a2b2t2+4ab)mmj=0(2m+1mj)(f(2n+2)(2j+1)(t)f2(2j+1)(t)l2j+1(t)), (1.4)
    nk=1l2m+12k(t)=mj=0(2m+1mj)(l(2n+1)(2j+1)(t)l2j+1(t)l2j+1(t)), (1.5)
    nk=1l2m+12k+1(t)=am+1bm+1mj=0(1)mj(2m+1mj)(l(2n+2)(2j+1)(t)l2(2j+1)(t)l2j+1(t)), (1.6)

    where n and m are positive integers.

    Theorem 2. We get the identities

    nk=1f2m2k(t)=a2m(a2b2t2+4ab)mmj=0(1)mj(2mmj)f2j(2n+1)(t)f2j(t)a2m(a2b2t2+4ab)m(2mm)(1)m(n+12), (1.7)
    nk=1f2m2k+1(t)=(ab)m(a2b2t2+4ab)mmj=0(2mmj)(f2j(2n+2)(t)f4j(t)f2j(t))(ab)m(a2b2t2+4ab)m(2mm)n, (1.8)
    nk=1l2m2k(t)=mj=0(2mmj)f2j(2n+1)(t)l2j+1(t)22m1(2mm)(n+12), (1.9)
    nk=1l2m2k+1(t)=ambmmj=0(1)mj(2mmj)(f2j(2n+2)(t)f4j(t)f2j(t))ambm(2mm)(1)mn, (1.10)

    where n and m are positive integers.

    As for application of Theorem 1, we get the following:

    Corollary 1. We get the congruences:

    bl1(t)l3(t)l2m+1(t)nk=1f2m+12k(t)0(modf2n+1(t)1), (1.11)

    and

    al1(t)l3(t)l2m+1(t)nk=1l2m+12k(t)0(modl2n+1(t)at), (1.12)

    where n and m are positive integers.

    Taking t=1 in Corollary 1, we have the following conclusions for bi-periodic Fibonacci {fn} and Lucas {ln} sequences.

    Corollary 2. We get the congruences:

    bl1l3l2m+1nk=1f2m+12k0(modf2n+11), (1.13)

    and

    al1l3l2m+1nk=1l2m+12k0(modl2n+1a), (1.14)

    where n and m are nonzero real numbers.

    Taking a=b=1 and t=1 in Corollary 1, we have the following conclusions for bi-periodic Fibonacci {Fn} and Lucas {Ln} sequences.

    Corollary 3. We get the congruences:

    L1L3L2m+1nk=1F2m+12k0(modF2n+11), (1.15)

    and

    L1L3L2m+1nk=1L2m+12k0(modL2n+11), (1.16)

    where n and m are nonzero real numbers.

    To begin, we will give several lemmas that are necessary in proving theorems.

    Lemma 1. We get the congruence

    f(2n+1)(2j+1)(t)f2j+1(t)0(modf2n+1(t)1),

    where n and m are nonzero real numbers.

    Proof. We prove it by complete induction for j0. This clearly holds when j=0. If j=1, we note that abf3(2n+1)(t)=(a2b2t2+4ab)f32n+1(t)3abf2n+1(t) and we obtain

    f3(2n+1)(t)f3(t)=(abt2+4)f32n+1(t)3f2n+1(t)(abt2+4)f31(t)+3f1(t)=(abt2+4)(f2n+1(t)f1(t))(f22n+1(t)+f2n+1(t)f1(t)+f21(t))3(f2n+1(t)f1(t))=(abt2+4)(f2n+1(t)1)(f22n+1(t)+f2n+1(t)f1(t)+f21(t))3(f2n+1(t)1)0(modf2n+1(t)1).

    This is obviously true when j=1. Assuming that Lemma 1 holds if j=1,2,,k, that is,

    f(2n+1)(2j+1)(t)f2j+1(t)0(modf2n+1(t)1).

    If j=k+12, we have

    l2(2n+1)(t)f(2n+1)(2j+1)(t)=f(2n+1)(2j+3)(t)+abf(2n+1)(2j1)(t),

    and

    abl2(2n+1)(t)=(a2b2t2+4ab)f22n+1(t)2ab(a2b2t2+4ab)f21(t)2ab(modf2n+1(t)1).

    We have

    f(2n+1)(2k+3)(t)f2k+3(t)=l2(2n+1)(t)f(2n+1)(2k+1)(t)abf(2n+1)(2k1)(t)l2(t)f2k+1(t)+abf2k1(t)((abt2+4)f21(t)2)f(2n+1)(2k+1)(t)abf(2n+1)(2k1)(t)((abt2+4)f21(t)2)f2k+1(t)+abf2k1(t)((abt2+4)f21(t)2)(f(2n+1)(2k+1)(t)f2k+1(t))ab(f(2n+1)(2k1)(t)f2k1(t))0(modf2n+1(t)1).

    This completely proves Lemma 1.

    Lemma 2. We get the congruence

    al(2n+1)(2j+1)(t)al2j+1(t)0(modl2n+1(t)at),

    where n and m are nonzero real numbers.

    Proof. We prove it by complete induction for j0. This clearly holds when j=0. If j=1, we note that al3(2n+1)(t)=bl32n+1(t)+3al2n+1(t) and we obtain

    al3(2n+1)(t)al3(t)=bl32n+1(t)+3al2n+1(t)bl31(t)3al1(t)=(l2n+1(t)l1(t))(bl22n+1(t)+bl2n+1(t)l1(t)+bl21(t))3a(l2n+1(t)l1(t))=(l2n+1(t)at)(bl22n+1(t)+bayl2n+1(t)+ba2t2)3a(l2n+1(t)at)0(modl2n+1(t)at).

    This is obviously true when j=1. Assuming that Lemma 2 holds if j=1,2,,k, that is,

    al(2n+1)(2j+1)(t)al2j+1(t)0(modl2n+1(t)at).

    If j=k+12, we have

    l2(2n+1)(t)l(2n+1)(2j+1)(t)=l(2n+1)(2j+3)(t)+l(2n+1)(2j1)(t),

    and

    al2(2n+1)(t)=bl22n+1(t)+2abl21(t)+2a(modl2n+1(t)at).

    We have

    al(2n+1)(2k+3)(t)al(2k+3)(t)=a(l2(2n+1)(t)l(2n+1)(2k+1)(t)l(2n+1)(2k1)(t))a(l2(t)l2k+1(t)l2k1(t))(bl21(t)+2a)l(2n+1)(2k+1)(t)al(2n+1)(2k1)(t)(bl21(t)+2a)l2k+1(t)+al2k1(t)(abt2+2)(al(2n+1)(2k+1)(t)al2k+1(t))(al(2n+1)(2k1)(t)al2k1(t))0(modl2n+1(t)at).

    This completely proves Lemma 2.

    Proof of Theorem 1. We only prove (1.3), and the proofs for other identities are similar.

    nk=1f2m+12k(t)=nk=1(aς(2k+1)(ab)2k2(σ2k(t)τ2k(t)σ(t)τ(t)))2m+1=a2m+1(σ(t)τ(t))2m+1nk=1(σ2k(t)τ2k(t))2m+1(ab)(2m+1)k=a2m+1(σ(t)τ(t))2m+1nk=12m+1j=0(1)j(2m+1j)σ2k(2m+1j)(t)τ2kj(t)(ab)(2m+1)k=a2m+1(σ(t)τ(t))2m+12m+1j=0(1)j(2m+1j)(1σ2n(2m+12j)(t)(ab)(2m+12j)n(ab)2m+12jσ2(2m+12j)(t)1)=a2m+1(σ(t)τ(t))2m+1mj=0(1)j(2m+1j)(1σ2n(2m+12j)(t)(ab)(2m+12j)n(ab)2m+12jσ2(2m+12j)(t)11σ2n(2j12m)(t)(ab)(2j12m)n(ab)2j12mσ2(2j12m)(t)1)=a2m+1(σ(t)τ(t))2m+1mj=0(1)j(2m+1j)(σ2(2m+12j)(t)(ab)2m+12jσ(2n+2)(2m+12j)(t)(ab)(n+1)(2m+12j)+1σ2n(2j12m)(t)(ab)(2j12m)n1σ2(2m+12j)(t)(ab)(2m+12j))=a2m+1(σ(t)τ(t))2m+1mj=0(1)j(2m+1j)×(σ2m+12j(t)τ2m+12j(t)σ(2n+1)(2m+12j)(t)(ab)(2m+12j)n+τ(2n+1)(2m+12j)(t)(ab)(2m+12j)nσ2m+12j(t)τ2m+12j(t))=a2m+1b(a2b2t2+4ab)mmj=0(1)mj(2m+1mj)(f(2n+1)(2j+1)(t)f2j+1(t)l2j+1(t)).

    Proof of Theorem 2. We only prove (1.7), and the proofs for other identities are similar.

    nk=1f2m2k(t)=nk=1(aς(2k+1)(ab)2k2(σ2k(t)τ2k(t)σ(t)τ(t)))2m=a2m(σ(t)τ(t))2mnk=1(σ2k(t)τ2k(t))2m(ab)2mk=a2m(σ(t)τ(t))2mnk=12mj=0(1)j(2mj)σ2k(2mj)(t)τ2kj(t)(ab)2mk=a2m(σ(t)τ(t))2m2mj=0(1)j(2mj)(1σ2n(2m2j)(t)(ab)(2m2j)n(ab)2m2jσ2(2m2j)(t)1)
    =a2m(σ(t)τ(t))2mmj=0(1)j(2mj)(1σ2n(2m2j)(t)(ab)(2m2j)n(ab)2m2jσ2(2m2j)(t)1+1σ2n(2j2m)(t)(ab)(2j2m)n(ab)2j2mσ2(2j2m)(t)1)+a2m(σ(t)τ(t))2m(1)m+1(2mm)n=a2m(σ(t)τ(t))2mmj=0(1)j(2mj)(σ2(2m2j)(t)(ab)2m2jσ(2n+2)(2m2j)(t)(ab)(n+1)(2m2j)1+σ2n(2j2m)(t)(ab)(2j2m)n1σ2(2m2j)(t)(ab)2m2j)+a2m(σ(t)τ(t))2m(1)m+1(2mm)n=a2m(σ(t)τ(t))2mmj=0(1)j(2mj)(σ2m2j(t)τ2m2j(t)σ(2n+1)(2m2j)(t)(ab)n(2m2j)+τ(2n+1)(2m2j)(t)(ab)n(2m2j)τ2m2j(t)σ2m2j(t))+a2m(σ(t)τ(t))2m(1)m+1(2mm)n=a2m(a2b2t2+4ab)mmj=0(1)mj(2mmj)(f2j(2n+1)(t)f2j(t)f2j(t))+a2m(a2b2t2+4ab)m(1)m+1(2mm)n.

    Proof of Corollary 1. First, from the definition of fn(t) and binomial expansion, we easily prove (f2n+1(t)1,a2b2t2+4ab)=1. Therefore, (f2n+1(t)1,(a2b2t2+4ab)m)=1. Now, we prove (1.11) by Lemma 1 and (1.3):

    bl1(t)l3(t)l2m+1(t)nk=1f2m+12k(t)=l1(t)l3(t)l2m+1(t)(a2m+1(σ(t)τ(t))2mmj=0(1)mj(2m+1mj)(f(2n+1)(2j+1)(t)f2j+1(t)l2j+1(t)))0(modf2n+1(t)1).

    Now, we use Lemma 2 and (1.5) to prove (1.12):

    al1(t)l3(t)l2m+1(t)nk=1l2m+12k(t)=l1(t)l3(t)l2m+1(t)(mj=0(2m+1mj)(al(2n+1)(2j+1)(t)al2j+1(t)l2j+1(t)))0(modl2n+1(t)at).

    In this paper, we discuss the power sums of bi-periodic Fibonacci and Lucas polynomials by Binet formulas. As corollaries of the theorems, we extend the divisible properties of the sum of power of linear Fibonacci and Lucas sequences to nonlinear Fibonacci and Lucas polynomials. An open problem is whether we extend the Melham conjecture to nonlinear Fibonacci and Lucas polynomials.

    The authors declare that they did not use Artificial Intelligence (AI) tools in the creation of this paper.

    The authors would like to thank the editor and referees for their helpful suggestions and comments, which greatly improved the presentation of this work. All authors contributed equally to the work, and they have read and approved this final manuscript. This work is supported by Natural Science Foundation of China (12126357).

    The authors declare that there are no conflicts of interest regarding the publication of this paper.



    [1] Cao Y, Fatemi V, Fang S, et al. (2018) Unconventional superconductivity in magic-angle graphene superlattices. Nature 556: 43-50. doi: 10.1038/nature26160
    [2] Rouhi S, Ansari R (2012) Atomistic finite element model for axial buckling and vibration analysis of single-layered graphene sheets. Physica E 44: 764-772. doi: 10.1016/j.physe.2011.11.020
    [3] Silva EF, Barbosa ALR, Hussein MS, et al. (2018) Tunable χ/ρτ Symmetry in Noisy Graphene. Braz J Phys 48: 322-329. doi: 10.1007/s13538-018-0576-6
    [4] Zhang H, Chhowalla M, Liu Z (2018) 2D nanomaterials: graphene and transition metal dichalcogenides. Chem Soc Rev 47: 3015-3017. doi: 10.1039/C8CS90048E
    [5] Novoselov KS, Geim AK, Morozov SV, et al. (2004) Electric field effect in atomically thin carbon films. Science 306: 666-669. doi: 10.1126/science.1102896
    [6] Mishra R, Panwar R, Singh D (2018) Equivalent circuit model for the design of frequency-selective, terahertz-band, graphene-based metamaterial absorbers. IEEE Magn Lett 9: 1-5.
    [7] Joel I, Wang J, Rodan-Legrain D, et al. (2019) Coherent control of a hybrid superconducting circuit made with graphene-based van der Waals heterostructures. Nat nanotechnol 14: 120-125.
    [8] Eda G, Fanchini G, Chhowalla M (2008) Large-area ultrathin films of reduced graphene oxide as a transparent and flexible electronic material. Nat nanotechnol 3: 270-274. doi: 10.1038/nnano.2008.83
    [9] Lee H, Ihm J, Cohen ML, et al. (2010) Calcium-decorated graphene-based nanostructures for hydrogen storage. Nano lett 10: 793-798. doi: 10.1021/nl902822s
    [10] Schedin F, Geim AK, Morozov SV, et al. (2007) Detection of individual gas molecules adsorbed on graphene. Nat mater 6: 652-655. doi: 10.1038/nmat1967
    [11] Castro Neto AH, Guinea F, Peres N (2009) MR; Novoselov, KS; Geim, AK Rev. Mod Phys 81: 109-162. doi: 10.1103/RevModPhys.81.109
    [12] Hu T, Gerber IC (2013) Theoretical study of the interaction of electron donor and acceptor molecules with graphene. J Phys Chem C 117: 2411-2420.
    [13] Ni S, Li Z, Yang J (2012) Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping. Nanoscale 4: 1184-1189. doi: 10.1039/C1NR11086A
    [14] Jappor HR, Jaber AS (2016) Electronic properties of CO and CO2 adsorbed silicene/graphene nanoribbons as a promising candidate for a metal-free catalyst and a gas sensor. Sensor Lett 14: 989-995.
    [15] Jappor HR (2017) Electronic and structural properties of gas adsorbed graphene-silicene hybrid as a gas sensor. J Nanoelectronic Optoe 12: 742-747. doi: 10.1166/jno.2017.2088
    [16] Zhang H, He X, Zhao M, et al. (2012). Tunable hydrogen separation in sp-sp2 hybridized carbon membranes: a first-principles prediction. J Phys Chem C 116: 16634-16638. doi: 10.1021/jp304908p
    [17] Balog R, Jørgensen B, Nilsson L, et al. (2010) Bandgap opening in graphene induced by patterned hydrogen adsorption. Nature mater 9: 315-319.
    [18] Vogt P, De Padova P, Quaresima C, et al. (2012) Silicene: compelling experimental evidence for graphenelike two-dimensional silicon. Phys Rev lett 108: 155501.
    [19] Li L, Lu SZ, Pan J, et al. (2014) Buckled germanene formation on Pt (111). Adv Mater 26: 4820-4824. doi: 10.1002/adma.201400909
    [20] Dávila ME, Xian L, Cahangirov S, et al. (2014) Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene. New J Phys 16: 095002. doi: 10.1088/1367-2630/16/9/095002
    [21] Zhu F, Chen WJ, Xu Y, et al. (2015) Epitaxial growth of two-dimensional stanene. Nature mater 14: 1020-1025. doi: 10.1038/nmat4384
    [22] Takahashi M (2017) Flat building blocks for flat silicene. Sci Rep 7: 10855. doi: 10.1038/s41598-017-11360-4
    [23] Oughaddou H, Enriquez H, Tchalala MR, et al. (2015) Silicene, a promising new 2D material. Prog Surf Sci 90: 46-83. doi: 10.1016/j.progsurf.2014.12.003
    [24] Jose D, Datta A (2013) Structures and chemical properties of silicene: unlike graphene. Accounts Chem Res 47: 593-602.
    [25] Sun M, Ren Q, Wang S, et al. (2016) Electronic properties of Janus silicene: new direct band gap semiconductors. J Phys D Appl Phys 49: 445305.
    [26] Ezawa M (2018) Electronic and topological properties of silicene, germanene and stanene. In: Vogt P, Lay GL, Silicene Prediction, Synthesis, Application, Cham: Springer, 43-71.
    [27] Li X, Mullen JT, Jin Z, et al. (2013) Intrinsic electrical transport properties of monolayer silicene and MoS2 from first principles. Phys Rev B 87: 115418. doi: 10.1103/PhysRevB.87.115418
    [28] Padilha JE, Pontes RB (2015) Free-standing bilayer silicene: the effect of stacking order on the structural, electronic, and transport properties. J Phys Chem C 119: 3818-3825. doi: 10.1021/jp512489m
    [29] Iordanidou K, Houssa M, van den Broek B, et al. (2016) Impact of point defects on the electronic and transport properties of silicene nanoribbons. J Phys Condens Mat 28: 035302.
    [30] Chowdhury S, Jana D (2016) A theoretical review on electronic, magnetic and optical properties of silicene. Rep Prog Phys 79: 126501. doi: 10.1088/0034-4885/79/12/126501
    [31] Wakabayashi K, Takane Y, Yamamoto M, et al. (2009) Electronic transport properties of graphene nanoribbons. New J Phys 11: 095016. doi: 10.1088/1367-2630/11/9/095016
    [32] Sangwan VK, Hersam MC (2018) Electronic transport in two-dimensional materials. Annu Rev Phys Chem 69: 299-325. doi: 10.1146/annurev-physchem-050317-021353
    [33] Shakouri K, Simchi H, Esmaeilzadeh M, et al. (2015) Tunable spin and charge transport in silicene nanoribbons. Phys Rev B 92: 035413. doi: 10.1103/PhysRevB.92.035413
    [34] Lu WT, Li YF, Tian HY (2018) Spin- and Valley-Dependent electronic structure in silicene under periodic potentials. Nanoscale Res Lett 13: 84. doi: 10.1186/s11671-018-2495-4
    [35] Sahin H, Peeters FM (2013) Adsorption of alkali, alkaline-earth, and 3 d transition metal atoms on silicene. Phys Rev B 87: 085423.
    [36] Lew Yan Voon LC, Sandberg E, Aga RS, et al. (2010) Hydrogen compounds of group-IV nanosheets. Appl Phys Lett 97: 163114. doi: 10.1063/1.3495786
    [37] Houssa M, Scalise E, Sankaran K, et al. (2011). Electronic properties of hydrogenated silicene and germanene. Appl Phys Lett 98: 223107.
    [38] Ding Y, Wang Y (2012) Electronic structures of silicene fluoride and hydride. Appl Phys Lett 100: 083102. doi: 10.1063/1.3688035
    [39] Singh R (2018) Spin-orbit coupling in graphene, silicene and germanene: dependence on the configuration of full hydrogenation and fluorination. B Mater Sci 41: 158. doi: 10.1007/s12034-018-1655-6
    [40] Koski KJ, Cui Y (2013) The new skinny in two-dimensional nanomaterials. ACS Nano 7: 3739-3743. doi: 10.1021/nn4022422
    [41] Elias DC, Nair RR, Mohiuddin TMG, et al. (2009) Control of graphene's properties by reversible hydrogenation: evidence for graphane. Science 323: 610-613. doi: 10.1126/science.1167130
    [42] Pulci O, Gori P, Marsili M, et al. (2012) Strong excitons in novel two-dimensional crystals: silicane and germanane. EPL Europhys Lett 98: 37004. doi: 10.1209/0295-5075/98/37004
    [43] Nagarajan V, Chandiramouli R (2017) First-principles investigation on interaction of NH3 gas on a silicene nanosheet molecular device. IEEE T Nanotechnol 16: 445-452. doi: 10.1109/TNANO.2017.2682125
    [44] Zhang X, Zhang D, Xie F, et al. (2017) First-principles study on the magnetic and electronic properties of Al or P doped armchair silicene nanoribbons. Phys Lett A 381: 2097-2102. doi: 10.1016/j.physleta.2017.04.030
    [45] Soler JM, Artacho E, Gale JD, et al. (2002) The SIESTA method for ab initio order-N materials simulation. J Phys Condens Mat 14: 2745.
    [46] Büttiker M, Imry Y, Landauer R, et al. (1985). Generalized many-channel conductance formula with application to small rings. Phys Rev B 31: 6207.
    [47] Rhodes P (1950) Fermi-Dirac functions of integral order. Proc R Soc Lond 204: 396-405. doi: 10.1098/rspa.1950.0183
    [48] Perdew JP, Zunger A (1981) Self-interaction correction to density-functional approximations for many-electron systems. Phys Rev B 23: 5048. doi: 10.1103/PhysRevB.23.5048
    [49] Zheng J, Zhou J, Qin R, et al. (2011) Tunable bandgap in silicene and germanene. Nano Lett 12: 113-118.
    [50] Osborn TH, Farajian AA, Pupysheva OV, et al. (2011) Ab initio simulations of silicene hydrogenation. Chem Phys Lett 511: 101-105. doi: 10.1016/j.cplett.2011.06.009
    [51] Drummond ND, Zolyomi V, Fal'Ko VI (2012) Electrically tunable band gap in silicene. Phys Rev B 85: 075423. doi: 10.1103/PhysRevB.85.075423
    [52] Zhang X, Xie H, Hu M, et al. (2014) Thermal conductivity of silicene calculated using an optimized Stillinger-Weber potential. Phys Rev B 89: 054310. doi: 10.1103/PhysRevB.89.054310
    [53] Wang XQ, Li HD, Wang JT (2012) Induced ferromagnetism in one-side semihydrogenated silicene and germanene. Phys Chem Chem Phys 14: 3031-3036. doi: 10.1039/c2cp23385a
    [54] Akinwande D, Petrone N, Hone J (2014) Two-dimensional flexible nanoelectronics. Nat Commun 5: 5678. doi: 10.1038/ncomms6678
  • Reader Comments
  • © 2019 the Author(s), licensee AIMS Press. This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0)
通讯作者: 陈斌, bchen63@163.com
  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

  1. 本站搜索
  2. 百度学术搜索
  3. 万方数据库搜索
  4. CNKI搜索

Metrics

Article views(4606) PDF downloads(610) Cited by(2)

Figures and Tables

Figures(7)

/

DownLoad:  Full-Size Img  PowerPoint
Return
Return

Catalog