公开(公告)号：US20180293342A1

公开(公告)日：2018-10-11

申请号：US15949268

申请日：2018-04-10

Applicant: Korea Advanced Institute of Science and Technology

Inventor： Mincheol Shin ,  Woo Jin Jeong ,  Jaehyun Lee

IPC: G06F17/50

Abstract: Disclosed is a method for simulating characteristics of a semiconductor device. An overlap matrix and a Hamiltonian representing atomic interaction energy information of a target semiconductor device are extracted by using a density functional theory (DFT), and Bloch states for corresponding energies are calculated based on the Hamiltonian, the overlap matrix, and energy-k relation within an effective energy region. A first reduced Hamiltonian and a first reduced overlap matrix having a reduced matrix size are obtained by applying the Hamiltonian and the overlap matrix to a transformation matrix that is obtained by orthonormalizing a matrix representing the Bloch states. A final transformation matrix and a final energy band structure where all unphysical branches, which are energy bands not corresponding to a first energy band structure in a second energy band structure, are removed within the effective energy region are calculated.

公开(公告)号：US11010524B2

公开(公告)日：2021-05-18

申请号：US15949268

申请日：2018-04-10

Applicant: Korea Advanced Institute of Science and Technology

Inventor： Mincheol Shin ,  Woo Jin Jeong ,  Jaehyun Lee

IPC: G06F30/367 ,  G06F119/06

Abstract: Disclosed is a method for simulating characteristics of a semiconductor device. An overlap matrix and a Hamiltonian representing atomic interaction energy information of a target semiconductor device are extracted by using a density functional theory (DFT), and Bloch states for corresponding energies are calculated based on the Hamiltonian, the overlap matrix, and energy-k relation within an effective energy region. A first reduced Hamiltonian and a first reduced overlap matrix having a reduced matrix size are obtained by applying the Hamiltonian and the overlap matrix to a transformation matrix that is obtained by orthonormalizing a matrix representing the Bloch states. A final transformation matrix and a final energy band structure where all unphysical branches, which are energy bands not corresponding to a first energy band structure in a second energy band structure, are removed within the effective energy region are calculated.