Calculating the DOS for spherical quantum dot

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Discussion Overview

The discussion revolves around methods for calculating the density of states (DOS) for spherical quantum dots, specifically focusing on phonon DOS. Participants explore various approaches and seek clarification on the application of Density Functional Theory (DFT) in this context.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested
  • Homework-related

Main Points Raised

  • One participant inquires about methods to calculate the DOS of spherical quantum dots.
  • Another participant suggests that the DOS can be calculated using DFT, noting that quantum dots are clusters of atoms.
  • A claim is made that the DOS for a quantum dot consists of a series of delta functions, with a reference to Koch's text for derivation.
  • A participant asks for clarification on whether the DOS in question pertains to phonons or electrons.
  • One participant specifies their interest in calculating the phonon DOS, particularly for acoustic phonons.
  • There is a request for PDF reference material related to the problem, indicating a need for additional resources.
  • A participant expresses a desire to understand the specific steps for calculating DOS using DFT, mentioning their use of Quantum ESPRESSO software.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the methods or specifics of calculating the DOS, as multiple approaches and clarifications are discussed without resolution.

Contextual Notes

There are limitations in the discussion regarding the assumptions made about the applicability of DFT and the specifics of the calculations, which remain unresolved.

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Dears

Is any method to calculate the density of states of spherical (purely) quantum dot?
 
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Well since a quantum dot is just a cluster of atoms yes, you can calculate it's DOS using DFT.
 
What DOS do you want to calculate, phonon, electron...?
 
Phonon

Epicurus said:
What DOS do you want to calculate, phonon, electron...?

PHONONS, I WANT TO CALCULATE PHONONS VIA THIE , BASICALLY INTERESTED WITH ACOUSTIC PHONONS.
 
how

inha said:
Well since a quantum dot is just a cluster of atoms yes, you can calculate it's DOS using DFT.

thanks, but i want to know how exactly...basically i am using quantum ezpresso 3.1.1 for DFT.
so please guide me...
sanjeev0302@rediffmail.com
 

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