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Questions tagged [solid-state-physics]

Questions about solid state physics.

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How to do parity analysis of band extrema?

To check whether electronic transitions are allowed between valence band maximum (VBM) and conduction band minimum (CBM) as per Laporte's rule, the parity of VBM/CBM is needed to be known. This paper ...
AbPhys's user avatar
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5 votes
0 answers
76 views

Can the electron charge density of two material systems be similar?

Broadly given two electron charge density (ECD) fields, is it possible to distinguish between the elements present in both the systems? Since the ECD does not explicitly present any information on the ...
Pranoy Ray's user avatar
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4 votes
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bandstructure calculation of two-dimensional ferrovalley (RuClBr) in quantum espresso

We try to calculate bandstructure of single layer RuClBr reported in fig.4 of 'https://pubs.rsc.org/en/content/articlelanding/2016/pq/d3nr00346a/unauth'. But our obtained bandstructure is not similar ...
manouchehr's user avatar
3 votes
0 answers
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How did they calculate the indirect radiative recombination rate in this paper?

In this paper they calculated radiative recombination rates for Germanium using an effective mass model and I am trying to calculate the indirect spontaneous radiative recombination rate related to ...
Peter Pien's user avatar
3 votes
0 answers
27 views

Compare transition matrix elements in molecules and solids

Is there a general trend such that transition matrix elements for electronic/excitonic transitions are larger/smaller in molecules than in inorganic solids or vice versa?
freude's user avatar
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3 votes
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Hilbert transform on the Bethe Lattice

In order to compute the local Green's function on the Bethe lattice, it is necessary to perform a Hilbert transform $$G_{loc}(\omega) = \int \frac{DOS(\varepsilon)}{\omega-\varepsilon} \text{d}\...
NehZio's user avatar
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2 votes
0 answers
61 views

Temperature effect on electronic properties

I'm particularly interested in studying how temperature affects electronic properties. However, I've been working with Quantum Espresso and its DFT + U functionality, and I'm struggling to understand ...
Prasad's user avatar
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2 votes
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34 views

Symmetries and Permutation in the Slater-Koster matrix elements

In Wikipedia there is a list of Slater-Koster matrix elements, but not all of them are listed because "matrix elements that are not listed in this table can be constructed by permutation of ...
Qwertuy's user avatar
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