arXiv subjects

Sanjay K. Banerjee

Publications and source records attributed to Sanjay K. Banerjee.

At least 55 records · Page 3Linked to original sources

arXiv2013

Atomistic Full-Band Simulations of Monolayer MoS2 Transistors

We study the transport properties of deeply scaled monolayer MoS2 n-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian obtained from density functional theory. Our simulations suggest that monolayer MoS2 MOSFETs can provide near-ideal subthreshold slope, and suppression of drain-induced barrier lowering (DIBL) and gate-induced drain leakage (GIDL). However, these full-band simulations also exhibit limited transconductance. These ballistic simulations also exhibit negative differential resistance (NDR) in the output characteristics associated with the narrow width in energy of the lowest conduction band, but this NDR may be substantially reduced or eliminated by scattering in MoS2.

cond-mat.mes-hall↗

arXiv2013

Theory and synthesis of bilayer graphene intercalated with ICl and IBr for low power device applications

Graphene intercalation materials are potentially promising for the implementation of the ultra-low power, excitonic-condensate-based Bilayer pseudoSpin Field-Effect Transistor (BiSFET) concept, as well as other novel device concepts requiring a graphene interlayer dielectric. Using density functional theory (DFT) we study the structural and electronic properties of bilayer graphene intercalated with iodine monochloride (ICl) and iodine monobromide (IBr). We determine the structural configuration of ICl and IBr graphene intercalation compounds (GICs). We also conduct an in-depth exploration of inter-layer electronic coupling, using \textit{ab initio} calculations. The presence of intercalants dopes the graphene layer. It also reduces, but does not eliminate, the electronic coupling between graphene layers, which may enable BiSFET operation. In addition, we present experimental results for ICl-GIC synthesis and characterization.

cond-mat.mes-hall↗

arXiv2012

Topological insulator Bi2Se3 thin films as an alternative channel material in MOSFETs

Three-dimensional (3-D) topological insulators (TI) are characterized by the presence of metallic surface states and a bulk band gap. Recently theoretical and experimental studies have shown an induced gap in the surface state bands of TI thin films. The gap results from interaction of conduction band (CB) and valence band (VB) surface states from the opposite surfaces of a thin film, and its size is determined by the film thickness. This gap formation could open the possibility of thin-film TI-based metal-oxide-semiconductor field-effect transistors (MOSFETs). Here we explore the performance of MOSFETs based on TI thin films, specifically Bi2Se3, using quantum ballistic transport simulations with the tight-binding Hamiltonian in the atomic orbital basis. Our simulations indicate that Bi2Se3 MOSFET will be vulnerable to short-channel effects due to the high relative dielectric constant of Bi2Se3(~100)despite its expected excellent electrostatic integrity inherent in a two-dimensional system, and will have other limitations as compared to silicon-based MOSFETs. However, Bi2Se3 MOSFETs, and presumably other TI-based MOSFETs, appear to provide reasonable performance that perhaps could provide novel device opportunities when combined with novel TI properties such as spin-polarized surface states.

cond-mat.mes-hall↗

arXiv2012

Self-aligned graphene field-effect transistors with polyethyleneimine doped source/drain access regions

We report a method of fabricating self-aligned, top-gated graphene field-effect transistors (GFETs) employing polyethyleneimine spin-on-doped source/drain access regions, resulting in a 2X reduction of access resistance and a 2.5X improvement in device electrical characteristics, over undoped devices. The GFETs on Si/SiO$_2$ substrates have high carrier mobilities of up to 6,300 cm$^2$/Vs. Self-aligned spin-on-doping is applicable to GFETs on arbitrary substrates, as demonstrated by a 3X enhancement in performance for GFETs on insulating quartz substrates, which are better suited for radio frequency applications.

cond-mat.mes-hall↗

arXiv2012

Topological Classification of Crystalline Insulators with Point Group Symmetry

We show that in crystalline insulators point group symmetry alone gives rise to a topological classification based on the quantization of electric polarization. Using C3 rotational symmetry as an example, we first prove that the polarization is quantized and can only take three inequivalent values. Therefore, a Z3 topological classification exists. A concrete tight-binding model is derived to demonstrate the Z3 topological phase transition. Using first-principles calculations, we identify graphene on BN substrate as a possible candidate to realize the Z3 topological states. To complete our analysis we extend the classification of band structures to all 17 two-dimensional space groups. This work will contribute to a complete theory of symmetry conserved topological phases and also elucidate topological properties of graphene like systems.

cond-mat.str-el↗

arXiv2012

Uniform wafer-scale synthesis of graphene on evaporated Cu (111) film with quality comparable to exfoliated monolayer

Monolayer graphene has been grown on crystallized Cu (111) films on standard oxidized Si 100 mm wafers. The monolayer graphene demonstrates high uniformity (>97% coverage), with immeasurable defects (>95% defect-negligible) across the entire wafer. Key to these results is the phase transition of evaporated copper films from amorphous to crystalline at the growth temperature as corroborated by X-ray diffraction and electron backscatter diffraction. Noticeably, phase transition of copper film is observed on technologically ubiquitous oxidized Si wafer where the oxide is a standard amorphous thermal oxide. Ion mass spectroscopy indicates that the copper films can be purposely hydrogen-enriched during a hydrogen anneal which subsequently affords graphene growth with a sole carbonaceous precursor for low defect densities. Owing to the strong hexagonal lattice match, the graphene domains align to the Cu (111) domains, suggesting a pathway for increasing the graphene grains by maximizing the copper grain sizes. Fabricated graphene transistors on a flexible polyimide film yield a peak carrier mobility ~4,930 cm2/Vs.

cond-mat.mtrl-sci↗

arXiv2012

Density functional theory studies of interactions of graphene with its environment: substrate, gate dielectric and edge effects

This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of graphene. In particular, we focus on graphene-on-quartz and graphene-on-alumina systems, exploring their energy spectrum and charge distribution. Silicon-terminated quartz is found to not perturb the linear graphene spectrum. On the other hand, oxygen-terminated quartz and both terminations of alumina bond with graphene, leading to the opening of a band gap. Significant charge transfer is seen between the graphene layer and the oxide in the latter cases. Additionally, we review the work of others regarding the effect of various substrates on the electronic properties of graphene. Confining graphene to form nanoribbons also results in the opening of a band gap. The value of the gap is dependent on the edge properties as well as width of the nanoribbon.

cond-mat.mes-hall↗

arXiv2011

Dielectric capping effects on binary and ternary topological insulator surface states

Using a density functional based electronic structure method, we study the effect of crystalline dielectrics on the metallic surface states of Bismuth- and chalcogen-based binary and ternary three dimensional topological insulator (TI) thin films. Crystalline quartz (SiO2) and boron nitride (BN) dielectrics were considered. Crystalline approximation to the amorphous quartz allows to study the effect of oxygen coverage or environmental effects on the surface states degradation which has gained attention recently in the experimental community. We considered both symmetric and asymmetric dielectric cappings to the sufaces of TI thin films. Our studies suggest that BN and quartz cappings have negligible effects on the Dirac cone surface states of both binary and ternary TIs, except in the case of an oxygen-terminated quartz surface. Dangling bond states of oxygens in oxygen-terminated quartz dominate the region close to Fermi level, thereby distorting the TI Dirac cone feature and burying the Dirac point in the quartz valence band region. Passivating the oxygen-terminated surface with atomic hydrogen removes these dangling bond states from the Fermi surface region, and consequently the clear Dirac cone is recovered. Our results are consistent with recent experimental studies of TI surface degradation in the presence of oxygen coverage.

cond-mat.mtrl-sci↗

arXiv2011

Density Functional Study of Ternary Topological Insulator Thin Films

Using an ab-initio density functional theory based electronic structure method with a semi-local density approximation, we study thin-film electronic properties of two topological insulators based on ternary compounds of Tl (Thallium) and Bi (Bismuth). We consider TlBiX$_2$ (X=Se, Te) and Bi$_2$$X$_2$Y (X,Y= Se,Te) compounds which provide better Dirac cones, compared to the model binary compounds Bi$_2$X$_3$ (X=Se, Te). With this property in combination with a structurally perfect bulk crystal, the latter ternary compound has been found to have improved surface electronic transport in recent experiments. In this article, we discuss the nature of surface states, their locations in the Brillouin zone and their interactions within the bulk region. Our calculations suggest a critical thin film thickness to maintain the Dirac cone which is significantly smaller than that in binary Bi-based compounds. Atomic relaxations or rearrangements are found to affect the Dirac cone in some of these compounds. And with the help of layer-projected surface charge densities, we discuss the penetration depth of the surface states into the bulk region. The electronic spectrum of these ternary compounds agrees very well with the available experimental results.

cond-mat.mtrl-sci↗

arXiv2011

Edge Saturation effects on the magnetism and band gaps in multilayer graphene ribbons and flakes

Using a density functional theory based electronic structure method and semi-local density approximation, we study the interplay of geometric confinement, magnetism and external electric fields on the electronic structure and the resulting band gaps of multilayer graphene ribbons whose edges are saturated with molecular hydrogen (H$_2$) or hydroxyl (OH) groups. We discuss the similarities and differences of computed features in comparison with the atomic hydrogen (or H-) saturated ribbons and flakes. For H$_2$ edge-saturation, we find \emph{shifted} labeling of three armchair ribbon classes and magnetic to non-magnetic transition in narrow zigzag ribbons whose critical width changes with the number of layers. Other computed characteristics, such as the existence of a critical gap and external electric field behavior, layer dependent electronic structure, stacking-dependent band gap induction and the length confinement effects remain qualitatively same with those of H-saturated ribbons.

cond-mat.mtrl-sci↗

arXiv2011

Density functional theory based study of graphene and dielectric oxide interfaces

We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local density approximation. We consider the dielectric oxides, SiO$_{2}$ ($α$-quartz) and Al$_{2}$O$_{3}$ (alumina or $α$-sapphire) each with two surface terminations. Our study suggests that atomic relaxations and resulting equilibrium separations play a critical role in perturbing the linear band structure of graphene in contrast to the less critical role played by dangling bonds that result from cleaving the crystal in a particular direction. We also see that with the addition of a second graphene layer, the Dirac cone is restored for the quartz surface terminations. Alumina needs more than two graphene layers to preserve the Dirac cone. Our results are at best semi-quantitative for the common amorphous forms of the oxides considered. However, crystalline oxides for which our results are quantitative provide an interesting option for graphene based electronics, particularly in light of recent experiments on graphene with crystalline dielectrics (hexagonal BN) that find considerable improvements in transport properties as compared to the those with amorphous dielectrics.

cond-mat.mtrl-sci↗

arXiv2010

Intrinsic and extrinsic perturbations on the topological insulator Bi2Se3 surface states

Using a density functional based electronic structure method, we study the effect of perturbations on the surface state Dirac cone of a strong topological insulator Bi$_2$Se$_3$ from both the intrinsic and extrinsic sources. We consider atomic relaxations, and film thickness as intrinsic and interfacial thin dielectric films as an extrinsic source of perturbation to the surface states. We find that atomic relaxations has no effect on the degeneracy of the Dirac cone whereas film thickness has considerable effect on the surface states inducing a gap which increases monotonically with decrease in film thickness. We consider two insulating substrates BN and quartz as dielectric films and show that surface terminations of quartz with or without passivation plays critical role in preserving Dirac cone degeneracy whereas BN is more inert to the TI surface states. The relative orbital contribution with respect to bulk is mapped out using a simple algorithm, and with the help of it we demonstrate the bulk band inversion when spin-orbit coupling is switched on. The layer projected charge density distributions of the surface states shows that these states are not strictly confined to the surface. The spatial confinement of these states extends up to two to three quintuple layers, a quintuple layer consists of five atomic layers of Bi and Se

cond-mat.mtrl-sci↗

arXiv2010

Effects of edge magnetism and external electric field on energy gaps in multilayer graphene nanoribbons

Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We consider two types of edges (armchair and zigzag), each with two edge alignments (referred to as alpha- and beta-alignments). We show that, as in monolayer and bilayer armchair nanoribbons, multilayer armchair nanoribbons exhibit three classes of energy gaps which decrease with increasing width. Nonmagnetic multilayer zigzag nanoribbons have band structures that are sensitive to the edge alignments and the number of layers, indicating different magnetic properties and resulting energy gaps. We find that energy gaps can be induced in ABC-stacked ribbons with a perpendicular external electric field while in other stacking sequences, the gaps decrease or remain closed as the external electric field increases.

cond-mat.mtrl-sci↗

arXiv2010

Graphene on Insulating Oxide Substrates: Role of Surface Dangling States

We study the effect of insulating oxide substrates on the energy band structure of monolayer and bilayer graphene using a first principles density functional based electronic structure method and a local exchange correlation approximation. We consider two crystalline substrates, SiO2 (or alpha-quartz) and Al2O3 (alpha-alumina or sapphire), each with two surface terminations. We focus on the role of substrate surface dangling states and their passivation in perturbing the linear energy spectrum of graphene. On non-passivated surface terminations, with the relaxation of top surface layers, only Si-terminated quartz retains the linear band structure of graphene due to relatively large equilibrium separation from the graphene layer whereas the other three surface terminations considerably distort it. However, without relaxations of the top surface layer atoms, linear bands appear in the electronic spectrum but with the Dirac point shifted away from the Fermi level. Interestingly, with a second carbon layer on non-passivated oxygen terminated Quartz, with top surface layers relaxation, graphene features appear in the spectrum but sapphire with both surface terminations shows perturbed features even with two carbon layers. By passivating the surface dangling states with hydrogen atoms and without top layer atomic relaxations, the electron-hole symmetry occurs exactly at the Fermi level. This suggests that surface dangling states play a less important role than the atomic relaxations of the top surface layers in distorting the linear spectrum. In all cases we find that the first layer of graphene forms ripples, much like in suspended graphene, but the strength of rippling is found to be weaker probably due to the presence of the substrate.

cond-mat.mtrl-sci↗

arXiv2010

Effects of magnetism and electric field on the energy gap of bilayer graphene nanoflakes

We study the effect of magnetism and perpendicular external electric field strengths on the energy gap of length confined bilayer graphene nanoribbons (or nanoflakes) as a function of ribbon width and length using a \textit{first principles} density functional electronic structure method and a semi-local exchange-correlation approximation. We assume AB (Bernal) bilayer stacking and consider both armchair and zigzag edges, and for each edge type, we consider the two edge alignments, namely, $α$ and $β$ edge alignment. For the armchair nanoflakes we identify three distinct classes of bilayer energy gaps, determined by the number of carbon chains in the width direction ({\it N} = 3{\it p}, 3{\it p}+1 and 3{\it p}+2, {\it p} is an integer), and the gaps decrease with increasing width except for class 3{\it p}+2 armchair nanoribbons. Metallic-like behavior seen in armchair bilayer nanoribbons are found to be absent in armchair nanoflakes. Class 3{\it p}+2 armchair nanoflakes show significant length dependence. We find that the gaps decrease with the applied electric fields due to large intrinsic gap of the nanoflake. The existence of a critical gap with respect to the applied field, therefore, is not predicted by our calculations. Magnetism between the layers plays a major role in enhancing the gap values resulting from the geometrical confinement, hinting at an interplay of magnetism and geometrical confinement in finite size bilayer graphene.

cond-mat.mtrl-sci↗

arXiv2009

Scaling Properties of Ge-SixGe1-x Core-Shell Nanowire Field Effect Transistors

We demonstrate the fabrication of high-performance Ge-SixGe1-x core-shell nanowire field-effect transistors with highly doped source and drain, and systematically investigate their scaling properties. Highly doped source and drain regions are realized by low energy boron implantation, which enables efficient carrier injection with a contact resistance much lower than the nanowire resistance. We extract key device parameters, such as intrinsic channel resistance, carrier mobility, effective channel length, and external contact resistance, as well as benchmark the device switching speed and ON/OFF current ratio.

cond-mat.mes-hall↗

arXiv2009

Realization of a High Mobility Dual-gated Graphene Field Effect Transistor with Al2O3 Dielectric

We fabricate and characterize dual-gated graphene field-effect transistors (FETs) using Al2O3 as top-gate dielectric. We use a thin Al film as a nucleation layer to enable the atomic layer deposition of Al2O3. Our devices show mobility values of over 8,000 cm2/Vs at room temperature, a finding which indicates that the top-gate stack does not significantly increase the carrier scattering, and consequently degrade the device characteristics. We propose a device model to fit the experimental data using a single mobility value.

cond-mat.mes-hall↗

arXiv2009

Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils

Graphene has been attracting great interest because of its distinctive band structure and physical properties. Today, graphene is limited to small sizes because it is produced mostly by exfoliating graphite. We grew large-area graphene films of the order of centimeters on copper substrates by chemical vapor deposition using methane. The films are predominantly single layer graphene with a small percentage (less than 5%) of the area having few layers, and are continuous across copper surface steps and grain boundaries. The low solubility of carbon in copper appears to help make this growth process self-limiting. We also developed graphene film transfer processes to arbitrary substrates, and dual-gated field-effect transistors fabricated on Si/SiO2 substrates showed electron mobilities as high as 4050 cm2V-1s-1 at room temperature.

cond-mat.mtrl-sci↗