User JensenPang

17 votes

1 answer

4k views

How to understand the time-reversal symmetry in graphene?

asked Jul 21, 2020 at 9:07

16 votes

1 answer

1k views

Why is the band gap of graphene "opened" in this VASP calculation?

asked Jun 27, 2020 at 3:09

16 votes

1 answer

1k views

How to separate the data plot for spin up and spin down band structure into 2 different graphs, in Pymatgen?

asked Nov 8, 2020 at 15:07

15 votes

1 answer

276 views

conceptual problem about the energy band along the High symmetry point in the Brillouin zone

asked Jun 10, 2020 at 4:39

14 votes

0 answers

312 views

Calculating the Chern number on a 2D surface of a 3D insulator

asked Jan 20, 2021 at 8:12

13 votes

2 answers

938 views

About the surface Greens function method for calculating the surface state

asked Jan 11, 2021 at 15:55

12 votes

1 answer

761 views

Structure relaxation of a thin film structure in VASP

asked Jan 25, 2021 at 12:46

12 votes

2 answers

1k views

Autocorrelation function problem in Monte Carlo simulation of 2D Ising model

asked May 18, 2020 at 13:49

12 votes

1 answer

514 views

DFT vs tight-binding solutions for a Dirac cone in graphene: Why is the DFT version squeezed?

asked Jun 6, 2020 at 13:05

11 votes

3 answers

218 views

How to determine whether we can put two semiconductor thin film together?

asked Sep 12, 2020 at 7:46

10 votes

1 answer

78 views

Is it possible to construct a tight binding matrix of high atomic layer thin film from the lower one?

asked Apr 5, 2021 at 3:23

9 votes

2 answers

2k views

Data format of wannier90_hr.dat from wannier90

asked Apr 10, 2021 at 8:09

9 votes

0 answers

319 views

How to do a Sampling on the boundary of Brillouin zone in VASP [closed]

asked May 4, 2021 at 5:42

9 votes

2 answers

1k views

Creating a heterostructure in VESTA

asked Sep 16, 2020 at 9:22

9 votes

1 answer

459 views

How to calculate the parity of a band at a particular point in Brillouin zone

asked Mar 11, 2021 at 19:10

8 votes

2 answers

310 views

acceptable range of stretching of a lattice unit cell when we do the heterostructure

asked Sep 20, 2020 at 3:06

8 votes

1 answer

623 views

How to create an effective INCAR setting in VASP for a heterostructure calculation？

asked Oct 6, 2020 at 6:42

7 votes

0 answers

192 views

The gap was open when I was doing an HSE + SOC DFT calculation [closed]

asked Dec 16, 2020 at 3:51

7 votes

0 answers

44 views

The quantum spin Hall phase with Z2 = 0? [closed]

asked Jun 22, 2021 at 15:58

7 votes

0 answers

117 views

Construct a parity operator at a TRIM point? [closed]

asked Apr 28, 2021 at 16:59

6 votes

0 answers

109 views

Constructing the symmetry operator from k.p Hamiltonian [closed]

asked Sep 7, 2021 at 15:39

6 votes

1 answer

140 views

Fermi level shift downward in the thin film structure

asked Jan 27, 2021 at 5:02

6 votes

1 answer

816 views

Calculating the surface state with Wannier tools

asked Feb 18, 2021 at 16:01

5 votes

1 answer

102 views

Divergence behaviour of surface energy

asked Mar 26, 2021 at 15:16

5 votes

2 answers

818 views

Calculating the band structure with different unit cell

asked Oct 24, 2020 at 4:21

5 votes

0 answers

147 views

About the mechanism of opening of the band gap in topological insulator with the inclusion of SOC [closed]

asked Jul 4, 2022 at 14:38

Stack Exchange Network

26 Questions

How to understand the time-reversal symmetry in graphene?

Why is the band gap of graphene "opened" in this VASP calculation?

How to separate the data plot for spin up and spin down band structure into 2 different graphs, in Pymatgen?

conceptual problem about the energy band along the High symmetry point in the Brillouin zone

Calculating the Chern number on a 2D surface of a 3D insulator

About the surface Greens function method for calculating the surface state

Structure relaxation of a thin film structure in VASP

Autocorrelation function problem in Monte Carlo simulation of 2D Ising model

DFT vs tight-binding solutions for a Dirac cone in graphene: Why is the DFT version squeezed?

How to determine whether we can put two semiconductor thin film together?

Is it possible to construct a tight binding matrix of high atomic layer thin film from the lower one?

Data format of wannier90_hr.dat from wannier90

How to do a Sampling on the boundary of Brillouin zone in VASP [closed]

Creating a heterostructure in VESTA

How to calculate the parity of a band at a particular point in Brillouin zone

acceptable range of stretching of a lattice unit cell when we do the heterostructure

How to create an effective INCAR setting in VASP for a heterostructure calculation？

The gap was open when I was doing an HSE + SOC DFT calculation [closed]

The quantum spin Hall phase with Z2 = 0? [closed]

Construct a parity operator at a TRIM point? [closed]

Constructing the symmetry operator from k.p Hamiltonian [closed]

Fermi level shift downward in the thin film structure

Calculating the surface state with Wannier tools

Divergence behaviour of surface energy

Calculating the band structure with different unit cell

About the mechanism of opening of the band gap in topological insulator with the inclusion of SOC [closed]