Band Structure of Mo<span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">S</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span> and Nb<span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">S</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span>

R. V. Kasowski

doi:10.1103/PhysRevLett.30.1175

Band Structure of Mo $S_{2}$ and Nb $S_{2}$

R. V. Kasowski

Phys. Rev. Lett. 30, 1175 – Published 4 June 1973

Abstract

The simplified linear combination of muffin-tin orbitals method has been used to calculate the energy bands of Mo $S_{2}$ and Nb $S_{2}$ . The calculated bands are in excellent agreement with photoemission data and provide a new interpretation of optical absorption spectra different from that of Wilson and Yoffe. The effect of the weak interlayer potential on the $d_{z^{2}}$ conduction band is shown explicitly.