Optical transitions in cubic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">HgSe</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi mathvariant="normal">−</mml:mi><mml:mi mathvariant="normal">y</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">S</mml:mi></mml:mrow><mml:mrow><mml:mi math

Guziewicz, E.; Kowalski, B.J.; Szamota-Sadowska, K.; Szuszkiewicz, W.; Orłowski, B.A.

doi:10.1103/physrevb.55.4405

Cited by 4 publications

(3 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Such an association of the main peaks with the high-symmetry points can be found in Ref. 9. Another interesting analysis is to look at the dominant character (s, p x , etc.͒ of the valence and conduction bands involved.…”

Section: Optical Spectramentioning

confidence: 67%

“…Any measured reflectivity is likely to be lower, due to scattering. An experimental spectrum for HgSe, measured by Guziewicz et al, 9 is included in the lowest panel of Fig. 5.…”

Section: Optical Spectramentioning

confidence: 99%

“…For this reason, we found it relevant to explicitly calculate the optical spectra, using the full transition matrix elements, and compare with available experimental data. 8,9 From a calculational point of view, no systematic study of these compounds has been previously performed with the spin-orbit coupling taken into account. Rohlfing and Louie 7 calculated the band structure and DOS for HgSe using GW ͑Ref.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Excitation spectra and ground-state properties from density-functional theory for the inverted band-structure systemsβ-HgS, HgSe, and HgTe

Delin

Klüner

2002

Phys. Rev. B

View full text Add to dashboard Cite

We have performed a systematic density-functional study of the mercury chalcogenide compounds ␤-HgS, HgSe, and HgTe using an all-electron full-potential linear muffin-tin orbital method. We find that, in the zinc-blende structure, both HgSe and HgTe are semimetals whereas ␤-HgS has a small spin-orbit-induced band gap. Our calculated relativistic photoemission and inverse photoemission spectra reproduce very well the most recently measured spectra, as do also our theoretical optical spectra. In contrast to the normal situation, we find that the local density approximation to the density functional gives calculated equilibrium volumes in much better agreement with experiment than does the generalized gradient corrected functional. We also address the problem of treating relativistic p electrons with methods based on a scalar-relativistic basis set and show that the effect is rather small for the present systems.

show abstract

Section: Optical Spectramentioning

confidence: 67%

“…Any measured reflectivity is likely to be lower, due to scattering. An experimental spectrum for HgSe, measured by Guziewicz et al, 9 is included in the lowest panel of Fig. 5.…”

Section: Optical Spectramentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation