• 제목/요약/키워드: Effective Hamiltonian

검색결과 25건 처리시간 0.026초

Strain에 따른 AlGaN QW LD의 발광특성 해석 (Analysis of emission spectrum of strained AlGaN QW LD)

  • 김종대;이종창
    • 한국광학회:학술대회논문집
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    • 한국광학회 2005년도 제16회 정기총회 및 동계학술발표회
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    • pp.290-291
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    • 2005
  • We have presented a comprehensive effective-mass Hamiltonian for strained Wurtzite semiconductors using k${\cdot}$p method and Kane's model. This theoretical groundwork provides a foundation for investigating the electrical and optical properties of wurtzite strained quantum-well lasers.

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Spin and Pseudo Spins in Theoretical Chemistry. A Unified View for Superposed and Entangled Quantum Systems

  • Yamaguchi, Y.;Nakano, M.;Nagao, H.;Okumura, M.;Yamanaka, S.;Kawakami, T.;Yamaki, D.;Nishino, M.;Shigeta, Y.;Kitagawa, Y.;Takano, Y.;Takahata, M.;Takeda, R.
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.864-880
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    • 2003
  • A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

Design of an Augmented Automatic Choosing Control via Hamiltonian and GA for a class of Nonlinear Systems with Constrained Input

  • Nakamura, Masatoshi;Zhang, Tao
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2002년도 ICCAS
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    • pp.76.3-76
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    • 2002
  • The purpose of this paper is to present a new nonlinear feedback control called AACC (Augmented automatic choosing control) for nonlinear systems. Generally, it is easy to design the optimal control laws for linear systems, but it is not so for nonlinear systems, though they have been studied for many years. One of most popular and practical nonlinear control laws is synthesized by applying a linearization method by Taylor expansion truncated at the first order and the linear optimal control method. This is only effective in a small region around the steady state point or in almost linear systems. Controllers based on a change of coordinates in differential geometry are effective in wider...

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기구학적 최적 제어를 사용한 자유 부유 매니퓰레이터의 여유도 해결 (Redundancy Resolution for Free-Floating Manipulators Using Kinematic Optimal Control Approach)

  • 김용민;김병국
    • 제어로봇시스템학회논문지
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    • 제17권8호
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    • pp.790-798
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    • 2011
  • An efficient sequential computation algorithm of kinematic optimal control is suggested for redundancy resolution of freefloating manipulators. Utilization of minimum principle usually requires involved and tedious procedure of differentiation of Hamiltonian. Due to the constraints of momentum conservation, it is not easy to get exact differential equations of boundary value problem for even relatively simple free-floating manipulator models. To overcome this difficulty, we developed an effective sequential algorithm for the computation of terms appeared in the differential equations. The usefulness of suggested approach is verified by simulation of a planar 3-joints free-floating manipulator.

Pseudo-electromagnetism in graphene

  • Son, Young-Woo
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.11-11
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    • 2011
  • In this talk, I will discuss roles of pseudo vector and scalar potential in changing physical properties of graphene systems. First, graphene under small uniaxial strain is shown to be described by the generalized Weyl's Hamiltonian with inclusion of pseudo vector and scalar potential simultaneously [1]. Thus, strained graphene is predicted to exhibit velocity anisotropy as well as work function enhancement without any gap. Second, if homogeneous strains with different strengths are applied to each layer of bilayer graphene, transverse electric fields across the two layers can be generated without any external electronic sources, thereby opening an energy gap [2]. This phenomenon is made possible by generation of inequivalent pseudo scalar potentials in the two graphene layers. Third, when very tiny lateral interlayer shift occurs in bilayer graphene, the Fermi surfaces of the system are shown to undergo Lifshitz transition [3]. We will show that this unexpected hypersensitive electronic topological transition is caused by a unique interplay between the effective non-Abelian vector potential generated by sliding motions and Berry's phases associated with massless Dirac electrons.

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The theory of non-Markovian optical gain in excited semiconductors

  • Ahn, Doyeol
    • 한국광학회:학술대회논문집
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    • 한국광학회 1995년도 광학 및 양자전자학 워크샵 논문집
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    • pp.138-148
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    • 1995
  • A reduced description of the dynamics of carriers in excited semiconductors is presented. Fristly, a time-convolutionless equation of motion for the reduced density operator is derved from the microscopic Liouville wquation operator method. Secondly, the quantum kinetic equations for intercting electron-hole parirs near band-edge in semiconductors under an extermal optical field are obtained from the equation of motion for the reduced density operator. The non-Markovian optical gain of a driven semiconductor is derived including the many-body effects. plasma screening and excitinic effects are taken into account using as effective Hamiltonian in the time-dependent Hartree-Fock approximation. it is shown that the line shape of optical-gain spectra gain is enhanced by the exicitonic effects caused by the attrative electron-hole Coulomb interaction and the interference effects (renormalized memory effects) between the extermal driving filed and the intermal driving Filed and the stochastic reservoir of the system.

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Semi-analytical Modeling of Transition Metal Dichalcogenide (TMD)-based Tunneling Field-effect Transistors (TFETs)

  • Huh, In
    • EDISON SW 활용 경진대회 논문집
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    • 제5회(2016년)
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    • pp.368-372
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    • 2016
  • In this paper, the physics-based analytical model of transition metal dichalcogenide (TMD)-based double-gate (DG) tunneling field-effect transistors (TFETs) is proposed. The proposed model is derived by using the two-dimensional (2-D) Landauer formula and the Wentzel-Kramers-Brillouin (WKB) approximation. For improving the accuracy, nonlinear and continuous lateral energy band profile is applied to the model. 2-D density of states (DOS) and two-band effective Hamiltonian for TMD materials are also used in order to consider the 2-D nature of TMD-based TFETs. The model is validated by using the tight-binding non-equilibrium Green's function (NEGF)-based quantum transport simulation in the case of monolayer molybdenum disulfide ($MoS_2$)-based TFETs.

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A Relativistiv Configuration Interaction Method Using Effective Core Potentials with Spin-Orbit Interactions

  • 김명청;이상연;이윤섭
    • Bulletin of the Korean Chemical Society
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    • 제16권6호
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    • pp.547-552
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    • 1995
  • As an extension to the Kramers' restricted Hartree-Fock (KRHF) method [J. Comp. Chem., 13, 595 (1992)], we have implemented the Kramers' restricted configuration interaction (KRCI) program in order to calculate excited states as well as the ground state of polyatomic molecules containing heavy atoms. This KRCI is based on determinants composed of the two-component molecular spinors which are generated from KRHF calculations. The Hamiltonian employed in the KRHF and KRCI methods contains most of all the important relativistic effects including spin-orbit terms through the use of relativistic effective core potentials (REP). The present program which is limited to a small configuration space has been tested for a few atoms and molecules. Excitation energies of the group 14 and 16 elements calculated using the present KRCI program are in good accordance with the spectroscopic data. Calculated excitation energies for many Rydberg states of K and Cs indicate that spin-orbit terms in the REP, which are derived for the ground state, are also reliable for the description of highly excited states. The electronic states of the polyatomic molecule CH3I are probed from the molecular region to the dissociation limit. Test calculations demonstrate that the present KRCI is a useful method for the description of potential energy surface of polyatomic molecules containing heavy atoms.

Atomistic simulation of surface passivated wurtzite nanowires: electronic bandstructure and optical emission

  • Chimalgi, Vinay U.;Nishat, Md Rezaul Karim;Yalavarthi, Krishna K.;Ahmed, Shaikh S.
    • Advances in nano research
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    • 제2권3호
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    • pp.157-172
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    • 2014
  • The three-dimensional Nano-Electronic Modeling toolkit (NEMO 3-D) is an open source software package that allows the atomistic calculation of single-particle electronic states and optical response of various semiconductor structures including bulk materials, quantum dots, impurities, quantum wires, quantum wells and nanocrystals containing millions of atoms. This paper, first, describes a software module introduced in the NEMO 3-D toolkit for the calculation of electronic bandstructure and interband optical transitions in nanowires having wurtzite crystal symmetry. The energetics (Hamiltonian) of the quantum system under study is described via the tight-binding (TB) formalism (including $sp^3$, $sp^3s^*$ and $sp^3d^5s^*$ models as appropriate). Emphasis has been given in the treatment of surface atoms that, if left unpassivated, can lead to the creation of energy states within the bandgap of the sample. Furthermore, the developed software has been validated via the calculation of: a) modulation of the energy bandgap and the effective masses in [0001] oriented wurtzite nanowires as compared to the experimentally reported values in bulk structures, and b) the localization of wavefunctions and the optical anisotropy in GaN/AlN disk-in-wire nanowires.

스토리 창작 특성의 효과적 가시화를 위한 분류 좌표계 연구 (A Coordinate System of Classification for Effective Visualizations of Story Properties)

  • 김명준
    • 디지털콘텐츠학회 논문지
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    • 제18권6호
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    • pp.1119-1125
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    • 2017
  • 장르 및 행위는 스토리의 분류뿐만 아니라 그 특성 데이터의 분포를 가시적으로 나타나는 데에도 효과적으로 사용될 수 있다. 본 논문에서는 스토리 특성 데이터의 분포를 장르-행위의 2차원 평면에서 가시화함에 있어, 인접한 장르 및 인접한 행위가 서로 유사성을 가지는 즉 공간적 특성을 가지는 장르-행위 좌표계를 제안한다. 제안된 장르-행위 좌표계를 이용하여 스토리 특성 데이터의 분포를 가시화 해본 결과 유사도가 높은 항목들이 연이여 좌표계의 항목을 이루고 또한 관련성 있는 특성 데이터들이 군집을 이루어 나타나는 등 공간적 의미를 가지도록 스토리 특성 데이터의 가시화가 가능함을 확인하였다.