Wednesday, February 25, 2015

condensed matter - Why does Density Functional Theory (DFT) underestimate bandgaps?


Density Functional Theory (DFT) is formulated to obtain ground state properties of atoms, molecules and condensed matter. However, why is DFT not able to predict the exact band gaps of semiconductors and insulators?


Does it mean that the band gaps of semiconductors and insulators are not the ground states?




-

No comments:

Post a Comment

Subscribe to: Post Comments (Atom)

classical mechanics - Moment of a force about a given axis (Torque) - Scalar or vectorial?

I am studying Statics and saw that: The moment of a force about a given axis (or Torque) is defined by the equation: $M_X = (\vec r \times \...

  • optics - Newton's rings experiment
    I have performed experiments in my college laboratory on Newton's rings to find radius the of curvature of the convex lens used. I alway...
  • IQ test sample patterns
    I was solving the sample problems for my school's IQ society and there are some I don't get. Since all I get is a final score, I wan...
  • A real star riddle
    500 are at my end, 500 are at my start, but at my heart there are only 5. The first letter and the first number make me complete: Some consi...