DOCSLIB.ORG

Magnetic Properties of 3D Transition Metal (Sc–Ni) Doped Plumbene Cite This: RSC Adv., 2020, 10, 6884 Daniel Hashemi * and Hideo Iizuka

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
Magnetic Properties of 3D Transition Metal (Sc–Ni) Doped Plumbene Cite This: RSC Adv., 2020, 10, 6884 Daniel Hashemi * and Hideo Iizuka RSC Advances View Article Online PAPER View Journal | View Issue Magnetic properties of 3d transition metal (Sc–Ni) doped plumbene Cite this: RSC Adv., 2020, 10, 6884 Daniel Hashemi * and Hideo Iizuka Recently, a synthesized two-dimensional layer structured material, so-called “plumbene”, has attracted research interests because of its sizeable spin–orbit coupling. To study the potential of this material as a dilute magnetic semiconductor, we computationally investigate the structure, electronic, and magnetic properties of 3d transition metal (TM) doped plumbene using density functional theory (DFT). These calculations show that Ti, V, Cr, Mn, Fe, and Co-doped plumbene systems are magnetic while no magnetic solution was found for Sc and Ni. We also calculate the magnetic couplings between two TM Received 9th December 2019 impurities in the system with an impurity concentration of less than 2%. For V, Mn, Fe, Co-doped Accepted 3rd February 2020 systems with short inter-impurity distances, we obtain a Curie temperature above room temperature DOI: 10.1039/c9ra10337f using the mean-field approximation, indicating the potential for magnetic storage and spintronics rsc.li/rsc-advances applications. Creative Commons Attribution-NonCommercial 3.0 Unported Licence. I. Introduction nonvolatile magnetoresistive memories, spin valve, spin-based transistors, and magnetically enhanced optoelectronics devices.27 Two-dimensional (2D) materials, particularly those in group 14, The electronic and magnetic properties of 2D materials can have attracted extensive interest due to their potential in terms be engineered with substitutional doping or adsorbing of TM – of the topological insulating properties,1–8 the chemical reac- elements, which can lead to DMSs in 2D semiconductors.28 34 tivity,9 the magnetic behavior,10,11 and the thermal properties.12 The magnetic substitutional doping can induce the spin and A recently synthesized 2D material, called plumbene13–17 has valley polarization due to the spin–orbit and exchange interac- This article is licensed under a generated much attention because it has the largest spin–orbit tion in transition-metal dichalcogenides (TMDs).35 interaction among all group 14 elements18 as the magnitude of In this paper, inspired by the recent synthesis of plumbene,13 spin–orbit coupling increases approximately as the fourth we use 3d TM elements as magnetic impurities to show that it is Open Access Article. Published on 14 February 2020. Downloaded 10/3/2021 3:00:52 PM. power of the effective nuclear charge. Moreover, rich physical possible to achieve magnetism in plumbene. First, we study the characteristics are expected in plumbene due to strong spin– stability and electronic properties of TM defects in plumbene, orbit coupling (SOC) as compared to graphene and phosphor- and thereaer, the magnetic orders are acquired through the ene,18 i.e. huge host-induced magnetic anisotropy of impurities long-range interaction between the diluted TM-doped systems. due to its strong SOC. In terms of mechanical properties, The Curie temperature is also estimated using the mean-eld a recent molecular dynamics simulation has shown that approximation for the ferromagnetic (FM) cases. plumbene is several times stronger than bulk lead.17 In terms of topological insulating properties, plumbene becomes a topo- logical insulator with a large band gap (z200 meV) through II. Computational details electron doping as shown by ab initio calculations.15 According The calculations were performed within the framework of spin- to theoretical calculations, plumbene is also a good candidate polarized density functional theory (DFT) including SOC, using for realizing the quantum spin Hall effect at room temperature the Vienna ab initio simulation package (VASP).36,37 SOC has (RT).19 Unexpected quantum spin Hall insulating properties a huge impact on the electronic properties of plumbene in such were also reported for bilayer and decorated plumbene.20,21 a way that without taking it into account, the global band gap Over the past decades, there have been many studies disappears.16 The frozen-core full-potential projector regarding the fundamental science of dilute magnetic semi- 38 – augmented-wave method (PAW) was used with the Perdew, conductors (DMSs).22 26 It has been shown that the combination Burke, and Ernzerhof (PBE)39 generalized gradient approxima- of 2D semiconductors and magnetic data storage could lead to tion (GGA). These functionals provide a reasonably good 2D spintronics devices with a wide range of applications such as description of the magnetic states of TM nanostructures such as adatoms40,41 and nanowires.42–44 Toyota Research Institute of North America, Toyota Motor North America, Ann Arbor, The convergence with respect to the size of k-sampling, MI 48105, USA. E-mail: [email protected] cutoff radius, and vacuum thickness was checked. These 6884 | RSC Adv.,2020,10,6884–6892 This journal is © The Royal Society of Chemistry 2020 View Article Online Paper RSC Advances resulted in a k-point mesh of 2 Â 2 Â 1 for Density of States and magnetization densities were visualized using VESTA (DOS) of the TM-doped system, a plane-wave cutoff radius of code.52 600 eV, and a vacuum distance between the periodic images of 15 A.˚ We used the conjugate-gradient algorithm for structural À relaxation with a force convergence criterion of 0.01 eV A˚ 1. III. Results and discussions The pristine plumbene structure was fully optimized. To A. Structure and energetics obtain the fundamental band gap, the electronic band struc- The calculated lattice constant of freestanding plumbene using – tures were calculated by the PBE functional, hybrid Heyd Scu- PBE, HSE03, and HSE06 functionals, as shown on Table 1, are – 45–47 48 seria Ernzerhof functionals (HSE03) and (HSE06). We 4.93 A,˚ 4.88 A,˚ and 4.87 A,˚ respectively, which shows a good used the standard values for the mixing parameter (0.25) and agreement between these methods. The calculated buckling ˚À1 ˚À1 the range-separation parameters of 0.3 A and 0.2 A for heights obtained by PBE, HSE03, and HSE06 functionals are HSE03 and HSE06 functionals, respectively. Charge transfer also 1.01 A,˚ 0.97 A,˚ and 0.97 A,˚ respectively. analysis between TM and plumbene was carried out using Bader The calculated band gap energies are 0.43 eV, 0.50 eV, and 49–51 Â Â formalism. The reciprocal space was sampled by a 6 6 1 0.58 eV using PBE, HSE03, and HSE06 functionals, respectively. k-points mesh in the Brillouin zone of the primitive unit cell. The electronic band structures obtained by these methods are The electronic and magnetic properties of TM-doped systems displayed in Fig. 1(d). It is known that PBE is expected to were studied using the PBE-optimized structures. We used underestimate the band gap energies53–55 which may be re- noncollinear spin polarization in a fully relativistic framework ected in our calculations. HSE functionals are well-established for the TM-doped plumbene systems to determine the easy and more accurate for describing electronic properties of 2D magnetization axis and to calculate the magnetic interaction materials as compared to PBE, but they are computationally between two TM impurities. The structures, charge densities, very expensive.56 We expect the experimental band gap energy to be higher than the calculated PBE band gap of 0.43 eV. Creative Commons Attribution-NonCommercial 3.0 Unported Licence. We checked the reliability of the PBE calculations and found consistent results across the PBE and the HSE methods in terms Table 1 Electronic band gap energy, lattice constant, and buckling height (h) of plumbene calculated with the PBE, HSE03, and HSE06 of magnetic con gurations of the Fe-doped system. Due to the functionals high computational workload and the reasonable agreement with the PBE results, we did not perform a similar study with the System PBE HSE03 HSE06 HSE approach. Band gap (eV) 0.43 0.50 0.58 To model the single impurity TM-doped systems, we chose Lattice constant (A)˚ 4.93 4.88 4.87 Â h (A)˚ 1.01 0.97 0.97 a4 2 supercell along the zigzag and armchair directions, respectively. Thus, the PBE lattice constants of a ¼ 19.74 A˚ and This article is licensed under a Open Access Article. Published on 14 February 2020. Downloaded 10/3/2021 3:00:52 PM. Fig. 1 (a and b) Top and side views of buckled plumbene, respectively. The blue solid vectors indicate the primitive vectors. h is the vertical distance between the Pb planes. (c) First Brillouin zone with high-symmetry points. (d) Electronic band structures for plumbene calculated with the HSE06 (blue solid line), HSE03 (brown dotted line), and PBE (red dashed line) functionals. This journal is © The Royal Society of Chemistry 2020 RSC Adv.,2020,10,6884–6892 | 6885 View Article Online RSC Advances Paper Table 2 Binding energy, optimized bond lengths, easy axis, absolute values of spin and orbital moments, charge transfers, energy difference between antiparallel (E[Y) parallel (E[[) spins of the TM impurities sites along zigzag (zi) and armchair (aj) directions, and Curie temperatures for the FM configurations Dopant Sc Ti V Cr Mn Fe Co Ni Pristine Eb (eV) 3.10 2.79 2.54 1.72 1.70 2.61 2.87 3.37 1.97 TM–Pb (A)˚ 2.92 2.80 2.79 2.85 3.02 2.69 2.53 2.50 3.02 Easy axis ^x ^x ^y ^z ^z ^z m |ms|( B) 1.32 2.79 3.98 4.10 2.95 1.52 m |mo|( B) 0.18 0.32 0.04 0.04 0.49 0.22 TM charge transfer (e) À1.09 À0.81 À0.50 À0.36 À0.37 À0.09 +0.04 +0.20 Pb charge transfer (e) +0.35 +0.27 +0.16 +0.12 +0.14 +0.02 À0.01 À0.07 D À À E(z1) (meV) 115 430 576 523 175 TC (K) 445 2023 677 DE(z2) (meV) À83 À125 À98 128 91 12 TC (K) 495 352 46 D À À E(z3) (meV) 57 24 22 43 78 18 TC (K) 220 93 85 166 DE(z4) (meV) À22 À12 1 À34 24 18 TC (K) 4 93 70 D À À À À À E(z5) (meV) 1 77 5 15 16 TC (K) 27 DE(a1) (meV) À45 À125 À78 101 77 17 TC (K) 391 298 66 D À À À À À E(a2) (meV) 12 34 99 23 33 70 TC (K) 132 DE(a3) (meV) 11 À34 À36 À34 13 14 Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Load more

Recommended publications
  • From a Normal Insulator to a Topological Insulator in Plumbene
    From a normal insulator to a topological insulator in plumbene 1,2 1 1 Xiang-Long Yu , Li Huang , and Jiansheng Wu ∗ 1 Department of Physics, South University of Science and Technology of China, Shenzhen 518055, P.R. China and 2 School of Physics and Technology, Wuhan University, Wuhan 430072, P.R. China Plumbene, similar to silicene, has a buckled honeycomb structure with a large band gap ( 400 meV). All previous studies have shown that it is a normal insulator. Here, we perform first-principles∼ calculations and employ a sixteen-band tight-binding model with nearest-neighbor and next-nearest-neighbor hopping terms to investigate electronic structures and topological properties of the plumbene monolayer. We find that it can be- come a topological insulator with a large bulk gap ( 200 meV) through electron doping, and the nontrivial state is very robust with respect to external strain. Plumbene∼ can be an ideal candidate for realizing the quantum spin Hall effect at room temperature. By investigating effects of external electric and magnetic fields on electronic structures and transport properties of plumbene, we present two rich phase diagrams with and without electron doping, and propose a theoretical design for a four-state spin-valley filter. PACS numbers: 73.43.-f, 73.22.-f, 71.70.Ej I. INTRODUCTION lengable to prepare high-quality samples with chemical func- tionalizations, resulting in the unrealizable observation of the QSH effect in such experiments. For device applications it is In 2005, Kane and Mele first proposed the prototypicalcon- almost impossible. 1,2 cept of quantum spin Hall (QSH) insulator in graphene .
    [Show full text]
  • Exotic Forms of Low-Dimensional Epitaxial Silicon and Xenes
    Exoc forms of low-dimensional epitaxial silicon and Xenes Guy Le Lay, Eric Salomon and Thierry Angot Aix-Marseille University, CNRS-PIIM, France Workshop on Chiral Modes in Opcs and Electronics of 2D Systems, Aussois, France, Nov. 26-28, 2018 D Epitaxial silicene archetype Kagome silicene Large area stanene structure on Ag(111)4x4 on Al(111)3x3 (3x3 nm2) on Ag(111)√3x√3 Co-workers Europe T. Angot and E. Salomon, Marseille, France Y. Sassa and coll., Uppsala, Sweden H. Sahin and F. Iyikanat, Izmir, Turkey Japan J. Yuhara and coll., Nagoya, Japan The Hunt for the Topological Qubit When a TI is coated by an s-wave superconductor (SC), the superconducng vorces are Majorana fermions—they are their own anAparAcles. Exchanging or braiding Majorana vorces, as sketched here, leads to non-abelian stasAcs. Such behavior could form the basis piece of hardware (Majorana Qubit) for topological quantum compung. Xiao-Liang Qi and Shou-Cheng Zhang, Physics Today Jan. 2010, 33 The Challenge: the Hardware QSHE « Experimental synthesis and characterizaon of 2D Topological Insulators remain a major challenge at present, offering outstanding opportuniAes for innovaon and breakthrough. » Kou et al., J. Phys. Chem. Le. 2017, 8, 1905 The way: Nanoarchitectonics, i.e., create atomically controlled ar9ficial structure by design The ar9ficial Xenes What about Si, Ge, Sn, and Pb group 14 arficial counterparts of graphene? XXXXXXXXXXXXXXXXXXXXX Graphene Flat No band gap Minute SOC Silicene Germanene Increasing Spin Orbit Coupling Stanene 82 Plumbene Pb The hardware beyond graphene First predic9on in 1994, 10 years before the isola9on of graphene! “Theorecal Possibility of Stage Corrugaon in Si and Ge Analogs of graphite” ⇒ K.
    [Show full text]
  • Thickness of Elemental and Binary Single Atomic Monolayers Cite This: Nanoscale Horiz., 2020, 5,385 Peter Hess
    Nanoscale Horizons View Article Online FOCUS View Journal | View Issue Thickness of elemental and binary single atomic monolayers Cite this: Nanoscale Horiz., 2020, 5,385 Peter Hess The thickness of monolayers is a fundamental property of two-dimensional (2D) materials that has not found the necessary attention. It plays a crucial role in their mechanical behavior, the determination of related physical properties such as heat transfer, and especially the properties of multilayer systems. Measurements of the thickness of free-standing monolayers are widely lacking and notoriously too large. Consistent thicknesses have been reported for single layers of graphene, boronitrene, and SiC derived from interlayer spacing measured by X-ray diffraction in multilayer systems, first-principles calculations of the interlayer spacing, and tabulated van der Waals (vdW) diameters. Furthermore, the electron density-based volume model agrees with the geometric slab model for graphene and boronitrene. For other single-atom monolayers DFT calculations and molecular dynamics (MD) simulations deliver interlayer distances that are often much smaller than the vdW diameter, owing to further electrostatic and (weak) covalent interlayer interaction. Monolayers strongly bonded to a surface Received 14th October 2019, also show this effect. If only weak vdW forces exist, the vdW diameter delivers a reasonable thickness not Accepted 18th November 2019 only for free-standing monolayers but also for few-layer systems and adsorbed monolayers. Adding the DOI: 10.1039/c9nh00658c usually known corrugation effect of buckled or puckered monolayers to the vdW diameter delivers an upper limit of the monolayer thickness. The study presents a reference database of thickness values for rsc.li/nanoscale-horizons elemental and binary group-IV and group-V monolayers, as well as binary III–V and IV–VI compounds.
    [Show full text]
  • Thermodynamic and Adsorption Characteristics for Various Adsorbent/ Refrigerant Pairs
    九州大学学術情報リポジトリ Kyushu University Institutional Repository Thermodynamic and Adsorption Characteristics for Various Adsorbent/ refrigerant Pairs Rupam, Hasan Tahmid 九州大学大学院総合理工学府環境エネルギー工学専攻 http://hdl.handle.net/2324/3053992 出版情報：九州大学, 2019, 修士, 修士 バージョン： 権利関係： Thermodynamic and Adsorption Characteristics for Adsorbent/ Refrigerant pairs Dissertation Tahmid Hasan Rupam (B.Sc. , DU, Bangladesh) Department of Energy and Environmental Engineering Interdisciplinary Graduate School of Engineering Sciences Kyushu University, Japan 2nd August 2019 Thermodynamic and Adsorption Characteristics for Adsorbent/ Refrigerant pairs A dissertation submitted in partial fulfilment of the requirements for the award of the degree of Master of Engineering By Tahmid Hasan Rupam (B.Sc. , DU, Bangladesh) Supervisor: Professor Bidyut Baran Saha Department of Energy and Environmental Engineering Interdisciplinary Graduate School of Engineering Sciences Kyushu University, Japan 2nd August 2019 Summary In today’s world, the primary concern is the energy consumption. Energy consumption have been increased significantly due to the industrial development, supermarkets, automobiles and household appliances. And day after day this ever growing demand for energy is increasing. However, the total amount of energy in the world is fixed. As a result to compensate for future demands for energy or to sustain in the distant future researchers are trying not only to find new sources of energy but also they are looking for efficient use of existing energy. Yes, it is true that in this modern era of science and technology, we are wasting a lot of energy such as low grade heat. This low grade heat can be integrated to some of the wonders of modern science like adsorption cooling systems. These systems can use low grade heat to produce cooling effect.
    [Show full text]
  • Plumbene on a Magnetic Substrate: a Combined STM and DFT Study
    Plumbene on a magnetic substrate: a combined STM and DFT study Gustav Bihlmayer,1, ∗ Jonas Sassmannshausen,2 Andr´eKubetzka,2 Stefan Bl¨ugel,1 Kirsten von Bergmann,2, y and Roland Wiesendanger2 1Peter Gr¨unberg Institut and Institute for Advanced Simulation, Forschungszentrum J¨ulich& JARA, 52425 J¨ulich, Germany 2Department of Physics, University of Hamburg, D-20355 Hamburg, Germany (Dated: June 26, 2020) As heavy analog of graphene, plumbene is a two-dimensional material with strong spin-orbit coupling effects. Using scanning tunneling microscopy (STM), we observe that Pb forms a flat hon- eycomb lattice on an Fe monolayer on Ir(111). In contrast, without the Fe layer, a c(2×4) structure of Pb on Ir(111) is found. We use density functional theory (DFT) calculations to rationalize these findings and analyze the impact of the hybridization on the plumbene band structure. In the unoc- cupied states the splitting of the Dirac cone by spin-orbit interaction is clearly observed while in the occupied states of the freestanding plumbene we find a band inversion that leads to the formation of a topologically non-trivial gap. Exchange splitting as mediated by the strong hybridization with the Fe layer drives a quantum spin Hall to quantum anomalous Hall state transition. Since the exotic properties of graphene have been ture but without band inversion near the Fermi level [13]. discovered about 15 years ago [1], the field of two- Electronically it is similar to a Bi(111) bilayer with less dimensional materials in general and honeycomb struc- electrons (ZBi = 83, ZPb = 82).
    [Show full text]
  • Exo%C Forms of Low-Dimensional Ar%Ficial Xenes
    Exoc forms of low-dimensional ar+ficial Xenes Guy Le Lay Aix-Marseille University, CNRS-PIIM, France Workshop on Anyons in Quantum Many-Body Systems, Dresden, Germany, Jan. 20-25, 2019 D Epitaxial silicene archetype 1D pentasilicene nanoribbons Large area stanene structure on Ag(111) on Ag(110) on Ag(111) Co-workers (recently) Europe T. Angot and E. Salomon, Marseille, France Y. Sassa and coll., Uppsala, Sweden S. Cahangirov, Ankara, Turkey H. Sahin and F. Iyikanat, Izmir, Turkey P. Vogt and coll., Chemnitz, Germany P. De Padova and coll., Rome, Italy, M.E. Davila and J.I. Cerda, Madrid, Spain A. RuBio and coll., Hamburg, Germany Japan J. Yuhara and coll., Nagoya, Japan The Hunt for the Topological QuBit When a TI is coated by an s-wave superconductor (SC), the superconducng vorces are Majorana fermions—they are their own anUparUcles. Exchanging or braiding Majorana vorces, as sketched here, leads to non-abelian stasUcs. Such behavior could form the basis piece of hardware (Majorana QuBit) for topological quantum compung. Xiao-Liang Qi and Shou-Cheng Zhang, Physics Today Jan. 2010, 33 The Challenge: the Hardware QSHE « Experimental synthesis and characterizaon of 2D Topological Insulators remain a major challenge at present, offering outstanding opportuniUes for innovaon and breakthrough. » Kou et al., J. Phys. Chem. Le. 2017, 8, 1905 The way: Nanoarchitectonics, i.e., create atomically controlled ar+ficial structure by design The ar+ficial Xenes What aBout Si, Ge, Sn, and Pb group IV arficial counterparts of graphene? XXXXXXXXXXXXXXXXXXXXX Graphene Flat No band gap Minute SOC Silicene Germanene Increasing Spin Orbit Coupling Stanene 82 Plumbene Pb The hardware beyond graphene First predic+on in 1994, 10 years Before the isola+on of graphene! “Theorecal PossiBility of Stage Corrugaon in Si and Ge Analogs of graphite” ⇒ K.
    [Show full text]
  • Germanene Structure Enhancement by Adjacent Insoluble Domains of Lead
    PHYSICAL REVIEW RESEARCH 3, 033138 (2021) Germanene structure enhancement by adjacent insoluble domains of lead Ting-Yu Chen ,1 David Mikolas,1 Santosh Chiniwar ,1 Angus Huang,1 Chung-Huang Lin,1 Cheng-Maw Cheng ,2 Chung-Yu Mou ,1,3 H.-T. Jeng,1,3,* Woei Wu Pai,4,5,† and S.-J. Tang 1,2,3,‡ 1Center for Quantum Technology and Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan 2National Synchrotron Radiation Research Center (NSRRC), Hsinchu 30076, Taiwan 3Institute of Physics, Academia Sinica, Taipei 11529, Taiwan 4Center for Condensed Matter Sciences, National Taiwan University, Taipei 106, Taiwan 5Department of Physics, National Taiwan University, Taipei 106, Taiwan (Received 4 November 2020; revised 2 July 2021; accepted 26 July 2021; published 11 August 2021) Growth of Xene, referred to as the analog of graphene made of atoms other than carbon, with higher lattice quality and more intrinsic electronic structures, is an important challenge to the development of two-dimensional (2D) materials. We report an approach using Pb-atom deposition to striped-phase (SP) germanene grown on Ag(111) to trigger it to a quasifreestanding phase (QP). Using low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM), we demonstrate that the 2D monatomic Pb layer, instead of being on top, grows side-by-side with QP germanene, not only driving the SP-to-QP transition but further enhancing the lattice order of QP as revealed by the dramatic evolution of LEED-spot shape and uniform STM-imaged array of moiré patterns. Originally oriented at 30° to Ag(111), the QP germanene transits first to a narrow distribution of rotations then to two sharp domains at ±3° from 30°, while the monoatomic Pb domains twist from ±4.3° to ±9.5° with respect to Ag(111).
    [Show full text]
  • The Rise of the Xenes: from the Synthesis to the Integration Processes for Electronics and Photonics
    materials Review The Rise of the Xenes: From the Synthesis to the Integration Processes for Electronics and Photonics Carlo Grazianetti * and Christian Martella * CNR-Institute for Microelectronics and Microsystems, Unit of Agrate Brianza, Via C. Olivetti 2, I-20864 Agrate Brianza, Italy * Correspondence: [email protected] (C.G.); [email protected] (C.M.) Abstract: The recent outcomes related to the Xenes, the two-dimensional (2D) monoelemental graphene-like materials, in three interdisciplinary fields such as electronics, photonics and processing are here reviewed by focusing on peculiar growth and device integration aspects. In contrast with forerunner 2D materials such as graphene and transition metal dichalcogenides, the Xenes pose new and intriguing challenges for their synthesis and exploitation because of their artificial nature and stabilization issues. This effort is however rewarded by a fascinating and versatile scenario where the manipulation of the matter properties at the atomic scale paves the way to potential applications never reported to date. The current state-of-the-art about electronic integration of the Xenes, their optical and photonics properties, and the developed processing methodologies are summarized, whereas future challenges and critical aspects are tentatively outlined. Keywords: Xenes; 2D materials; electronics; photonics; processing; SEDNE; UXEDO Citation: Grazianetti, C.; Martella, C. The Rise of the Xenes: From the 1. Xenes: Background and State-of-the-Art Synthesis to the Integration Processes The Xenes family, namely those two-dimensional (2D) materials akin to graphene, for Electronics and Photonics. quickly expanded in the last 10 years and since the discovery of silicene in 2012 [1] and a Materials 2021, 14, 4170.
    [Show full text]
  • View PDF Version
    RSC Advances View Article Online PAPER View Journal | View Issue Large bandgap quantum spin Hall insulator in methyl decorated plumbene monolayer: a first- Cite this: RSC Adv.,2019,9,42194 principles study Shoaib Mahmud and Md. Kawsar Alam * Topologically protected edge states of 2D quantum spin Hall (QSH) insulators have paved the way for dissipationless transport. In this regard, one of the key challenges is to find suitable QSH insulators with large bandgaps. Group IV analogues of graphene such as silicene, germanene, stanene, plumbene etc. are promising materials for QSH insulators. This is because their high spin–orbit coupling (SOC) and large bandgap opening may be possible by chemically decorating these group IV graphene analogues. However, finding suitable chemical groups for such decoration has always been a demanding task. In this work, we investigate the performance of a plumbene monolayer with –CX3 (X ¼ H, F, Cl) chemical decoration and report very large bandgaps in the range of 0.8414 eV to 0.9818 eV with spin–orbit Creative Commons Attribution-NonCommercial 3.0 Unported Licence. coupling, which is much higher compared to most other topological insulators and realizable at room temperature. The ℤ2 topological invariants of the samples are calculated to confirm their topologically nontrivial properties. The existence of edge states and topological nontrivial property are illustrated by Received 17th September 2019 investigating PbCX nanoribbons with zigzag edges. Lastly, the structural and electronic stability of the Accepted 9th December 2019 3 topological materials against strain are demonstrated to extend the scope of using these materials. Our DOI: 10.1039/c9ra07531c findings suggest that these derivatives are promising materials for spintronic and future high rsc.li/rsc-advances performance nanoelectronic devices.
    [Show full text]
  • Final Program
    BACK NW2SD international conference, July 17th - 19th, Palais du Pharo, Marseille France Final program 18:00 TUESDAY, July 16: Welcome Cocktail & Registration, salle des Voûtes BACK NW2SD international conference, July 17th - 19th, Palais du Pharo, Marseille France WEDNESDAY, JULY 17 08:00 Registration, Hémicycle 08:45 Opening Session Hémicycle Dr. Annette Calisti and Prof. Jean-Marc Layet Introduction Talk : Prof. Pierre Chiappetta, vice-President of Aix-Marseille Université 09:00 Session 1, Hémicycle Chairs: Profs. Patrick Soukiassian and Jean-Luc Beuzit Plenary Talk: Prof. Gérard Mourou, Nobel Laureate in PHysics (2018), Ecole PolytecHnique, Palaiseau, France “Passion Extreme LigHt” 09:45 Invited Talk : Prof. Hidemi Shigekawa “Sub-cycle transient scanning tunneling spectroscopy and its applications” 10:15 A. Bétourné: “HigH-Resolution Single-SHot Surface SHape and in-situ Measurements using Quadriwave Lateral SHearing Interferometry” 10:35 Coffee Break, Hémicycle 10:55 Session 2 A Hémicycle Session 2 B Amphithéâtre Gastaut Chairs: Profs. Christoph Gerber and Thierry Angot Chairs: Profs. Ewine van Dishoek and Auguste Le Van Suu C. Liu: “Comprehensive Experimental Studies of Ultrathin Invited Talk : Dr Luc Blanchet Superconducting Films witH a Self-Developed Multi-Functional “Gravitational Waves: A New Astronomy” Scanning Tunneling Microscope” 11:25 F. Flores: “Inelastic tunneling excitation of transition metal atoms, Invited talk: Prof. Jose Cernicharo the Hund rule and Kondo resonances” “From Molecules to Dust in Carbon RicH AstropHysical Environments” 11:55 G. Le Lay: “A Journey through Architecture, Black Holes, and S. Cristallo: “From nano-scale to tera-scale: dust formation in AGB NanoArcHitectonics” stars” 12:15 Lunch Break, Hémicycle BACK NW2SD international conference, July 17th - 19th, Palais du Pharo, Marseille France 13:40 Session 3, Hémicycle Chairs: Profs.
    [Show full text]
  • Spin Splitting and Spin Hall Conductivity in Buckled Monolayers of the Group 14: first-Principles Calculations
    Spin splitting and spin Hall conductivity in buckled monolayers of the group 14: first-principles calculations S. M. Farzaneh∗ Department of Electrical and Computer Engineering, New York University, Brooklyn, New York 11201, USA Shaloo Rakhejay Holonyak Micro and Nanotechnology Laboratory University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA Elemental monolayers of the group 14 with a buckled honeycomb structure, namely silicene, germanene, stanene, and plumbene, are known to demonstrate a spin splitting as a result of an electric field parallel to their high symmetry axis which is capable of tuning their topological phase between a quantum spin Hall insulator and an ordinary band insulator. We perform first-principles calculations based on the density functional theory to quantify the spin-dependent band gaps and the spin splitting as a function of the applied electric field and extract the main coefficients of the invariant Hamiltonian. Using the linear response theory and the Wannier interpolation method, we calculate the spin Hall conductivity in the monolayers and study its sensitivity to an external electric field. Our results show that the spin Hall conductivity is not quantized and in the case of silicene, germanene, and stanene degrades significantly as the electric field inverts the band gap and brings the monolayer into the trivial phase. The electric field induced band gap does not close in the case of plumbene which shows a spin Hall conductivity that is robust to the external electric field. I. INTRODUCTION successful isolation of graphene a decade ago [8], other members of this family came into existence starting from The buckled monolayers of the group 14 possess a topo- silicene [9{12], which was followed by germanene [13, 14] logical phase known as the quantum spin Hall insulator and more recently by stanene [5, 15, 16] and plumbene [6].
    [Show full text]
  • Beyond Silicene: Synthesis of Germanene, Stanene and Plumbene Junji Yuhara, Guy Le Lay
    Beyond silicene: synthesis of germanene, stanene and plumbene Junji Yuhara, Guy Le Lay To cite this version: Junji Yuhara, Guy Le Lay. Beyond silicene: synthesis of germanene, stanene and plumbene. Japanese Journal of Applied Physics, Japan Society of Applied Physics, 2020, 59 (SN), pp.SN0801. 10.35848/1347-4065/ab8410. hal-03202618 HAL Id: hal-03202618 https://hal.archives-ouvertes.fr/hal-03202618 Submitted on 20 Apr 2021 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Beyond silicene: synthesis of germanene, stanene and plumbene Junji Yuhara1* and Guy Le Lay2 1Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan 2Aix-Marseille Université, CNRS, PIIM UMR 7345, 13397 Marseille Cedex, France *E-mail: [email protected] Abstract Twenty five years after the first theoretical prediction of two-dimensional (2D) honeycomb-like silicon and germanium, now coined silicene and germanene, the last Group 14 artificial cousin of graphene has been synthesized, thus terminating the lineage from silicene (2012) to germanene (2014), stanene (2015), and finally plumbene (2019). Here, we describe the realizations and review the tantalizing properties of these outstanding novel 2D materials.
    [Show full text]