Questions tagged [condensed-matter]

For all matters related to condensed matter physics.

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16
votes
1answer
1k views

How to understand the time-reversal symmetry in graphene?

A lot of references say that the Dirac cone in graphene is protected by inversion and time-reversal symmetries. How can one understand this statement? How can one show explicitly that the gapless ...
24
votes
0answers
218 views

Where/when did the fields of Operations Research and Materials Modeling begin to cross-pollinate? [closed]

Operations Research is a field of mathematics in which optimal or near-optimal solutions are sought for complicated problems. In the modeling of materials, we often optimize Ising models, in which the ...
16
votes
1answer
197 views

Difference between potential energy, free energy and Coulomb energy in solid state physics

I often encounter terms such as (Helmholtz, Gibbs) free energy, potential energy and total energy when describing the energy of a physical system at atomic level. Sometimes I stumble upon Coulomb ...
15
votes
0answers
115 views

How to find the projected Hamiltonian for lowest flat-band in general?

In [1], starting with the bosonic Hamiltonian (Eqn. 1) for the dice lattice model with half flux density (with Ahronov-Bohm phases incorporated), \begin{equation} H=-t\sum_{\langle j,\mu\rangle}(a^\...
11
votes
1answer
201 views

How to start with structural defects in monolayer?

First of all, thank you for your help! You are so helpful every time. I would like to calculate the influence of the structural defects on the electronic structure in the HfS2 monolayer. With VESTA ...
6
votes
1answer
55 views

Example of a standard/archetypal/simple 4-band un-gapped condensed matter model with analytic results?

I am looking to study Berry phase-like phenomena in an un-gapped material model. However, I am having trouble finding a widely-used 4-band model with analytic expressions for wavefunctions and ...
13
votes
2answers
510 views

How much does the initial geometry affect the final geometry in optimization calculations?

This might be a stupid question but to what extent will the initial configuration of a bulk phase geometry optimization calculation affect the final geometry? Most places say to start with ...
6
votes
0answers
70 views

Example of a standard/archetypal/simple 4-band gapped condensed matter model with analytic results?

I am looking to study Berry phase-like phenomena in a gapped 4-band material model. In particular, I want to numerically and analytically calculate the Abelian Berry curvature integral of each band ...