Device modeling from first principles at the atomic level

被引：0
|
作者：
Chang, YC [1 ]
机构：
[1] UNIV ILLINOIS,MAT RES LAB,URBANA,IL 61801
来源：
COMPOUND SEMICONDUCTORS 1995 | 1996年 / 145卷
关键词：
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We demonstrate that device modeling can be done with the use of planar Wannier functions directly constructed from first-principles, Example calculations for GaAs/AlAs heterostructures are illustrated. For a small-size superlattice, it is shown that the results obtained from using the planar Wannier functions are essentially identical to those obtained with the fully convergent plane-wave basis.
引用
收藏
页码：1175 / 1180
页数：6
相关论文
共 50 条
  • [31] Surface gradients in cemented carbides from first-principles-based multiscale modeling: Atomic diffusion in liquid Co
    Walbruhl, Martin
    Blomqvist, Andreas
    Korzhavyi, Pavel A.
    Araujo, C. Moyses
    INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2017, 66 : 174 - 179
  • [32] First principles modeling of nanostructures
    Öǧüt, Serdar
    Turkish Journal of Physics, 2003, 27 (05): : 443 - 458
  • [33] Realistic Modeling of Complex Oxide Materials from the First Principles
    Solovyev, Igor
    IWCE-13: 2009 13TH INTERNATIONAL WORKSHOP ON COMPUTATIONAL ELECTRONICS, 2009, : 253 - 256
  • [34] Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles
    Ghosez, Philippe
    Junquera, Javier
    ANNUAL REVIEW OF CONDENSED MATTER PHYSICS, 2022, 13 : 325 - 364
  • [35] Modeling of Co overlayers on Pd (111) from first principles
    Uba, S.
    Uba, L.
    Antonov, V. N.
    NANODESIGN, TECHNOLOGY, AND COMPUTER SIMULATIONS, 2007, 6597
  • [36] Thermodynamics Modeling for Actinide Monocarbides and Mononitrides from First Principles
    Soderlind, Per
    Moore, Emily E.
    Wu, Christine J.
    APPLIED SCIENCES-BASEL, 2022, 12 (02):
  • [37] Modeling elementary reactions in coke formation from first principles
    Van Speybroeck, V.
    Hemelsoet, K.
    Minner, B.
    Marin, G. B.
    Waroquier, M.
    MOLECULAR SIMULATION, 2007, 33 (9-10) : 879 - 887
  • [38] Modeling Axisymmetric Centrifugal Compressor Characteristics From First Principles
    Powers, Katherine H.
    Brace, Chris J.
    Budd, Chris J.
    Copeland, Colin D.
    Milewski, Paul A.
    JOURNAL OF TURBOMACHINERY-TRANSACTIONS OF THE ASME, 2020, 142 (09):
  • [39] From tunneling to contact: Inelastic signals in an atomic gold junction from first principles
    Frederiksen, Thomas
    Lorente, Nicolas
    Paulsson, Magnus
    Brandbyge, Mads
    PHYSICAL REVIEW B, 2007, 75 (23)
  • [40] Role of atomic variability in dielectric charging: A first-principles-based multiscale modeling study
    Vedula, R. P.
    Palit, S.
    Alam, M. A.
    Strachan, A.
    PHYSICAL REVIEW B, 2013, 88 (20)
12345