• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.647-647
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• 2013

We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the structures, energetics and charge transport characteristics of nitrogen-doped graphene and graphene nanoribbons (GNRs) with additional doping of phosphorus or boron atoms. Considering graphitic, pyridinic, and porphrin-like N doping sites and increasing N-doping concentration, we analyze the structures of N-P and N-B doped graphene and particularly focus on how they affect the charge transport along the lateral direction. For the GNRs, we also consider the differences between defects formed at the edge and bulk regions. Implications of our findings in the context of electronic and energy device applications will be also discussed.

• Proceeding of EDISON Challenge
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• 2017.03a
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• pp.398-403
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• 2017

본 연구에서는 gate-all-around(GAA) 수직 나노선 Field-Effect Transistor(FET)의 소스/드레인 반도체/실리사이드 접합에 존재하는 Schottky 장벽이 트랜지스터의 DC특성에 미치는 영향에 대하여 조사하였다. Non-Equilibrium Green's Function와 Poisson 방정식 기반의 시뮬레이터를 사용하여, Schottky 장벽의 위치와 높이, 그리고 채널 단면적의 크기에 따른 전류-전압 특성 곡선과 에너지 밴드 다이어그램을 통해 분석을 수행하였다. 그 결과, 드레인 단의 Schottky 장벽은 드레인 전압에 의해 장벽의 높이가 낮아져 전류에 주는 영향이 작지만, 소스 단의 Schottky 장벽은 드레인 전압과 게이트 전압으로 제어가 불가능하여 외부에서 소스 단으로 들어오는 캐리어의 이동을 방해하여 큰 DC성능 저하를 일으킨다. 채널 단면적 크기에 따른 DC특성 분석 결과로는 동작상태의 전류밀도는 채널의 폭이 5 nm 일 때까지는 유지되고, 2 nm가 되면 그 크기가 매우 작아지지만, 채널 단면적은 Schottky 장벽에 영향을 끼치지 못하였다. 본 논문의 분석 결과로 향후 7 nm technology node 에 적용될 GAA 수직 나노선 FET의 소자 구조 설계에 도움이 되고자 한다.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.343-346
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• 2015

Ultra-thin body transistor is one of the emerging devices since it control leakage current flows through substrate. In addition, it can be operated by double gates, thus, its on/off current ratio is higher than conventional counterpart. In this paper, we design and investigate a CMOS inverter based on ultra-thin body MOSFETs to estimate its performance in real application. NEGF (non-equilibrium Green's function) method is used to obatain relationship between drain current and voltage. DC transfer is extracted from the relationship, and FO4 (fanout-of-4) propagation delay is reported as 5.1 ps estimated by a simple model.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.273-277
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• 2013

We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the electronic and transport properties of graphene nanoribbons (GNRs) co-doped with boron-nitrogen, nitrogen-phosphorus and boron-phosphorus. We analyze the structures and charge transport properties of co-doped GNRs and particularly focus on the novel effects that are absent for the single N-, B-, or P-doped GNRs. It is found that co-doped GNRs tend to be doped at the edges and the electronic structures of co-doped GNRs are very sensitive to the doping sites. Also, in case of B-N and B-P co-doped GNRs, conductance dips of single-doped GNRs disappeared with the disappearance of localized states associated with doped atoms. This may lead to a possible method of band engineering of GNRs and benefit the design of graphene electronic devices.

• Advances in nano research
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• v.14 no.1
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• pp.1-15
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• 2023

Driven by the scaling down of transistor node technology, graphene became of interest to many researchers following the success of its fabrication as graphene nanoribbons (GNRs). However, during the fabrication of GNRs, it is not uncommon to have defects within the GNR structures. Scaling down node technology also changes the modelling approach from the classical Boltzmann transport equation to the quantum transport theory because the quantum confinement effects become significant at sub-10 nanometer dimensions. The aim of this study is to examine the effect of Stone-Wales defects on the electronic properties of GNRs using a tight-binding model, based on Non-Equilibrium Green's Function (NEGF) via numeric computation methods using MATLAB. Armchair and zigzag edge defects are also implemented in the GNR structures to mimic the practical fabrication process. Electronic properties of pristine and defected GNRs of various lengths and widths were computed, including their band structure and density of states (DOS). The results show that Stone-Wales defects cause fluctuation in the band structure and increase the bandgap values for both armchair GNRs (AGNRs) and zigzag GNRs (ZGNRs) at every simulated width. In addition, Stone-Wales defects reduce the numerical computation DOS for both AGNRs and ZGNRs. However, when the lengths of the structures increase with fixed widths, the effect of the Stone-Wales defects become less significant.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.180.2-180.2
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• 2014

Opening a bandgap by forming graphene nanoribbons (GNRs) and tailoring their properties via doping is a promising direction to achieve graphene-based advanced electronic devices. Applying a first-principles computational approach combining density functional theory (DFT) and DFT-based non-equilibrium Green's function (NEGF) calculation, we herein study the structural, electronic, and charge transport properties of boron-nitrogen binary edge doped GNRs and show that it can achieve novel doping effects that are absent for the single B or N doping. For the armchair GNRs, we find that the B-N edge co-doping almost perfectly recovers the conductance of pristine GNRs. For the zigzag GNRs, it is found to support spatially and energetically spin-polarized currents in the absence of magnetic electrodes or external gate fields: The spin-up (spin-down) currents along the B-N undoped edge and in the valence (conduction) band edge region. This may lead to a novel scheme of graphene band engineering and benefit the design of graphene-based spintronic devices.

• Advances in nano research
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• v.17 no.2
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• pp.137-147
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• 2024

Graphene nanoribbons (GNRs) are considered a promising alternative to graphene for future nanoelectronic applications. However, GNRs-based device modeling is still at an early stage. This research models the electronic properties of n-doped rough-edged 13-armchair graphene nanoribbons (13-AGNRs) and quantum transport properties of n-doped rough-edged 13-armchair graphene nanoribbon field-effect transistors (13-AGNRFETs) at different doping concentrations. Step-up and edge doping are used to incorporate doping within the nanostructure. The numerical real-space nearest-neighbour tight-binding (NNTB) method constructs the Hamiltonian operator matrix, which computes electronic properties, including the sub-band structure and bandgap. Quantum transport properties are subsequently computed using the self-consistent solution of the two-dimensional Poisson and Schrödinger equations within the non-equilibrium Green's function method. The finite difference method solves the Poisson equation, while the successive over-relaxation method speeds up the convergence process. Performance metrics of the device are then computed. The results show that highly doped, rough-edged 13-AGNRs exhibit a lower bandgap. Moreover, n-doped rough-edged 13-AGNRFETs with a channel of higher doping concentration have better gate control and are less affected by leakage current because they demonstrate a higher current ratio and lower off-current. Furthermore, highly n-doped rough-edged 13-AGNRFETs have better channel control and are less affected by the short channel effect due to the lower value of subthreshold swing and drain-induced barrier lowering. The inclusion of dopants enhances the on-current by introducing more charge carriers in the highly n-doped, rough-edged channel. This research highlights the importance of optimizing doping concentrations for enhancing GNRFET-based device performance, making them viable for applications in nanoelectronics.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.02a
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• pp.158-158
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• 2012

A new kind of organic-inorganic hybrid polymer, poly(tetraphenyl)silole siloxane (PSS), was invented and synthesized for realization of its unique charge trap properties. The organic portions consisting of (tetraphenyl)silole rings are responsible for electron trapping owing to their low-lying LUMO, while the Si-O-Si inorganic linkages of high HOMO-LUMO gap provide the intrachain energy barrier for controlling electron transport. Such an alternation of the organic and inorganic moieties in a polymer may give an interesting quantum well electronic structure in a molecule. The PSS thin film was fabricated by spin-coating of the PSS solution in THF organic solvent onto Si-wafer substrates and curing. The electron trapping of the PSS thin films was confirmed by the capacitance-voltage (C-V) measurements performed within the metal-insulator-semiconductor (MIS) device structure. And the quantum well electronic structure of the PSS thin film, which was thought to be the origin of the electron trapping, was investigated by a combination of theoretical and experimental methods: density functional theory (DFT) calculations in Gaussian03 package and spectroscopic techniques such as near edge X-ray absorption fine structure spectroscopy (NEXAFS) and photoemission spectroscopy (PES). The electron trapping properties of the PSS thin film of quantum well structure are closely related to intra- and inter-polymer chain electron transports. Among them, the intra-chain electron transport was theoretically studied using the Atomistix Toolkit (ATK) software based on the non-equilibrium Green's function (NEGF) method in conjunction with the DFT.

• Advances in nano research
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• v.15 no.3
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• pp.263-275
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• 2023

The electron transport properties of Y-type zigzag branched carbon nanotubes (CNTs) are of great significance for micro and nano carbon-based electronic devices and their interconnection. Based on the semi-empirical method combining tight-binding density functional theory and non-equilibrium Green's function, the electron transport properties between the branches of Y-type zigzag branched CNT are studied. The results show that the drain-source current of semiconducting Y-type zigzag branched CNT (8, 0)-(4, 0)-(4, 0) is cut-off and not affected by the gate voltage in a bias voltage range [-0.5 V, 0.5 V]. The current presents a nonlinear change in a bias voltage range [-1.5 V, -0.5 V] and [0.5 V, 1.5 V]. The tangent slope of the current-voltage curve can be changed by the gate voltage to realize the regulation of the current. The regulation effect under negative bias voltage is more significant. For the larger diameter semiconducting Y-type zigzag branched CNT (10, 0)-(5, 0)-(5, 0), only the value of drain-source current increases due to the larger diameter. For metallic Y-type zigzag branched CNT (12, 0)-(6, 0)-(6, 0), the drain-source current presents a linear change in a bias voltage range [-1.5 V, 1.5 V] and is symmetrical about (0, 0). The slope of current-voltage line can be changed by the gate voltage to realize the regulation of the current. For three kinds of Y-type zigzag branched CNT with different diameters and different conductivity, the current-voltage curve trend changes from decline to rise when the branch of drain-source is exchanged. The current regulation effect of semiconducting Y-type zigzag branched CNT under negative bias voltage is also more significant.