Recent content by Mohammad-gl

Thank you. I want to know metrices form.

This is the reference. DOI: 10.1103/PhysRevLett.94.226601

I'm trying to calculate spin Hall conductivity for a 4 × 4 Hamiltonian and I found the attached formula for spin Hall conductivity. What are Dirac matrices for 4× 4 Hamiltonian?

Thank you

I mean that generally can we call a band structure degenerate even if there be a cross in the valence bands? and is not crucial that valence and conduction bands cross each other?

In fact my question is that the degeneracy is related to cross the valence and the conduction band or that can be happen even in touching the valences or conduction bands too?

Excuse me for late reply. Can you tell me generally when we can ignore inter-band transitions (valence to conduction)? For example, can we ignore inter-band transitions for large gap materials and consider only intra-band (valence to valence) transitions?

Here are some papers that have ignored the intra-band contributions.

Thank you. My case here is a quantum spin Hall insulator named PbBiI that has two valences and two conduction bands that we can name ##v_1, v_2, c_1, c_2##. Do you mean that I can consider the Berry curvature of the valence bands as ##i(\langle \frac{\partial v_1}{\partial k_x}|\frac{\partial...

I am studying Berry curvature for a specific material and faced different types of the Berry curvature formula. Some papers use only valence eigenstates (u1) like this i∗(<(∂U1/∂kx)|(∂U1/∂ky)>−<(∂U1/∂ky)|(∂U1/∂kx)>) and someone uses summation on all the conduction and valence bands like this...

Hello, I'm calculating the density of states for Li2CuO2. I generated the .cif file from materialsproject and convert it to the quantum espresso using materialscloud.org. There are many options when I want to convert the .cif file such as magnetic or non-magnetic material and etc. Which options...

I am studying a 2D material using tight binding. I calculated density of states using this method. Can I also calculate partial density of states using tight binding?

Thank you

I want to compare my tight binding results with DFT calculation. Which one GGA or G0W0 is more trustable to compare?