KSSOLV—A MATLAB Toolbox for Solving the Kohn-Sham Equations (2010)
Chao Yang, Juan C. Meza, Byounghak Lee, Lin-wang Wang
We describe the design and implementation of KSSOLV, a MATLAB toolbox for solving a class of nonlinear eigenvalue problems known as the Kohn-Sham equations. These types of problems arise in...
KSSOLV- A MATLAB Toolbox for Solving the Kohn-Sham Equations (2009)
Chao Yang, Juan C. Meza, Byounghak Lee, Lin-wang Wang
We describe the design and implementation of KSSOLV, a MATLAB toolbox for solving a class of nonlinear eigenvalue problems known as the Kohn-Sham equations. These types of problems arise in...
KSSOLV- A MATLAB Toolbox for Solving the Kohn-Sham Equations (2008)
Chao Yang, Juan C. Meza, Byounghak Lee, Lin-wang Wang
We describe the design and implementation of KSSOLV, a MATLAB toolbox for solving a class of nonlinear eigenvalue problems known as the Kohn-Sham equations. This type of problem arises from...
Effects of d-electrons in pseudopotential screened-exchange density functional calculations (2008)
We report a theoretical study on the role of shallow d states in the screened-exchange local density approximation (sX-LDA) band structure of binary semiconductor systems. We found that inaccurate...
Conductivity and Spin Susceptibility for the Disordered 2D Hubbard Model (2008)
Kobayashi, Kohjiro, Lee, Byounghak, Trivedi, Nandini
The effect of disorder on a class of transition metal oxides described by a single orbital Hubbard model at half filling is investigated. The phases are characterized by the nature of the electronic...
Mechanical and Electrical Properties of CdTe Tetrapods Studied by Atomic Force Microscopy (2008)
Fang, Liang, Park, Jeong Young, Cui, Yi, Alivisatos, Paul, Shcrier, Joshua, Lee, Byounghak, ...
Mechanical and electronic-structure properties of compressed CdSe tetrapod nanocrystals (2008)
Schrier, Joshua, Lee, Byounghak, Wang, Lin-Wang
The coupling of mechanical and optical properties in semiconductor nanostructures can potentially lead to new types of devices. This work describes our theoretical examination of the mechanical...
Linearly Scaling 3D Fragment Method for Large-Scale Electronic Structure Calculations (2008)
Lin-wang Wang, Byounghak Lee, Hongzhang Shan, Zhengji Zhao, Juan Meza, Erich Strohmaier, ...
We present a new linearly scaling three-dimensional fragment (LS3DF) method for large scale ab initio electronic structure calculations. LS3DF is based on a divide-and-conquer approach, which...
Nonlocal exchange correlation in screened-exchange density functional methods (2007)
Lee, Byounghak, Wang, Lin-Wang, Spataru, Catalin D., Louie, Steven G.
We present a systematic study on the exchange-correlation effects in screened-exchange local density functional method. To investigate the effects of the screened-exchange potential in the band gap...
Disorder Enhanced Spin Polarization in Diluted Magnetic Semiconductors (2007)
Lee, Byounghak, Cartoixa, Xavier, Trivedi, Nandini, Martin, Richard M.
We present a theoretical study of diluted magnetic semiconductors that includes spin-orbit coupling within a realistic host band structure and treats explicitly the effects of disorder due to...
Band gap bowing and electron localization of (GaxIn1-x)N (2006)
Lee, Byounghak, Wang, Lin-Wang
The band gap bowing and the electron localization of GaxIn1-xN are calculated using both the local density approximation (LDA) and screened-exchange local density functional (sX-LDA) methods. The...
Electronic Structure of zinc-blende AlxGa1-xN; Screened-Exchange Study (2006)
Lee, Byounghak, Wang, Lin-Wang
We present a first principle investigation of the electronic structure and the band gap bowing parameter of zinc-blende \AlGaN using both local density approximation and screened-exchange density...
Electronic structure of Calcium hexaborides (2005)
Lee, Byounghak, Wang, Lin-Wang
We present a theoretical study of crystal and electronic structures of CaB6 within a screened-exchange local density approximation (sX-LDA). Our ab initio total energy calculations show that CaB6 is...
Spin-Orbit Effects in Diluted Magnetic Semiconductors (2004)
Lee, Byounghak, Cartoixa, Xavier, Trivedi, Nandini, Martin, Richard M.
We present a theoretical study of diluted magnetic semiconductors that treats the local sp-d exchange interaction J between the itinerant carriers and the Mn d electrons within a realistic band...
Ferromagnetism in Diluted Magnetic Semiconductor Heterojunction Systems (2002)
Lee, Byounghak, Jungwirth, T., MacDonald, A. H.
Diluted magnetic semiconductors (DMSs), in which magnetic elements are substituted for a small fraction of host elements in a semiconductor lattice, can become ferromagnetic when doped. In this...
Field Effect Magnetization Reversal in Ferromagnetic Semiconductor Quantum Wells (2001)
Lee, Byounghak, Jungwirth, T., MacDonald, A. H.
We predict that a novel bias-voltage assisted magnetization reversal process will occur in Mn doped II-VI semiconductor quantum wells or heterojunctions with carrier induced ferromagnetism. The...
Jungwirth, T., Lee, Byounghak, MacDonald, A. H.
The mean-field theory represents a useful starting point for studying carrier-induced ferromagnetism in Mn$_x$III$_{1-x}$V diluted magnetic semiconductors. A detail description of these systems...
Theory of Ferromagnetism in Diluted Magnetic Semiconductor Quantum Wells (2000)
Lee, Byounghak, Jungwirth, T., MacDonald, A. H.
We present a mean field theory of ferromagnetism in diluted magnetic semiconductor quantum wells. When subband mixing due to exchange interactions between quantum well free carriers and magnetic...