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In a previous paper [\prb {\bf 50}, 1980 (1994)] we gave account of the nondispersive band first found experimentally at --4.4 eV for CdTe(001) by Niles and H\"ochst. We have characterized this band as a surface--induced bulk state. In a…

Condensed Matter · Physics 2007-05-23 D. Olguín , R. Baquero

In this work we present the electronic band structure for (001)--CdTe interfaces with some other II--VI zinc blende semiconductors. We assume ideal interfaces. We use tight binding Hamiltonians with an orthogonal basis ($s p^3 s^*$). We…

Condensed Matter · Physics 2007-05-23 D. Olguin , R. Baquero

We present an electronic structure calculation of the valence band for some II--VI binary/ternary alloy interfaces. We use the empirical tight-binding method and the surface Green's function matching method. For the ternary alloys we use…

Condensed Matter · Physics 2016-08-31 D. Olguin , R. Baquero

As a second part of a previous paper, here the calculated electronic band structure of ideal Pt(100) and Pt(110) surfaces, studied using density functional theory and the empirical tight-binding method, is presented. A detailed discussion…

Materials Science · Physics 2015-03-17 H. J. Herrera-Suarez , A. Rubio-Ponce , D. Olguin

We investigate the influence of slab thickness on the electronic structure of the Si(100)-p(2x2) surface in density functional theory (DFT) calculations, considering both density of states and band structure. Our calculations, with slab…

Materials Science · Physics 2017-04-05 Keisuke Sagisaka , Jun Nara , David Bowler

In this Letter we present scanning tunneling microscopy density-of-states measurements and electronic structure calculations of the topological insulator Bi2Se3. The measurements show significant background states in addition to the…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Megan Romanowich , Mal-Soon Lee , Duck-Young Chung , Jung-Hwan Song , S. D. Mahanti , Mercouri G. Kanatzidis , Stuart H. Tessmer

A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…

Materials Science · Physics 2011-04-07 M. N. Read

The electronic structure of AlN in wurtzite and zinc-blende phases is studied experimentally and theoretically. By using x-ray emission spectroscopy, the Al 3p, Al 3s and N 2p spectral densities are obtained. The corresponding local and…

Materials Science · Physics 2007-05-23 P. Jonnard , N. Capron , F. Semond , J. Massies , E. Martinez-Guerrero , H. Mariette

From the analysis of the cyclotron resonance, we experimentally obtain the band structure of the three-dimensional topological insulator based on a HgTe thin film. Top gating was used to shift the Fermi level in the film, allowing us to…

Mesoscale and Nanoscale Physics · Physics 2020-10-20 J. Gospodaric , V. Dziom , A. Shuvaev , A. A. Dobretsova , N. N. Mikhailov , Z. D. Kvon , E. G. Novik , A. Pimenov

We calculate the bulk- (infinite system), (100)-bulk-projected- and (100)-Surface-projected Green's functions using the Surface Green's Function Matching method (SGFM) and an empirical tight-binding hamiltonian with tight-binding parameters…

Condensed Matter · Physics 2009-10-22 D. Olguin , R. Baquero

We use the Surface Green Function Matching (SGFM) method and a tight-binding hamiltonian to calculate the (100)-surface electronic band structure and local density of states of the series of Cu-based A^{I}B^{III}C2^{VI} chalcopyrites . We…

Materials Science · Physics 2007-05-23 H. Tototzintle-Huitle , R. Baquero

By combining bulk sensitive soft-X-ray angular-resolved photoemission spectroscopy and accurate first-principles calculations we explored the bulk electronic properties of WTe$_2$, a candidate type-II Weyl semimetal featuring a large…

The surface and bulk states in topological materials have shown promise in many applications. Grey or $\alpha$-Sn, the inversion symmetric analogue to HgTe, can exhibit a variety of these phases. However there is disagreement in both…

The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…

Mesoscale and Nanoscale Physics · Physics 2020-07-08 Tomáš Rauch , Miguel A. L. Marques , Silvana Botti

For analyzing quantum transport in semiconductor devices, accurate electronic structures are critical for quantitative predictions. Here we report theoretical analysis of electronic structures of all III-V zinc-blende semiconductor…

Materials Science · Physics 2015-06-15 Yin Wang , Haitao Yin , Ronggen Cao , Ferdows Zahid , Yu Zhu , Lei Liu , Jian Wang , Hong Guo

The electronic structure of \graySn(001) thin films strained compressively in-plane was studied both experimentally and theoretically. A new topological surface state (TSS) located entirely within the gapless projected bulk bands is…

We investigate the electronic structure of the c(4 x 2) reconstructed Ge(001) surface using band structure calculations based on density functional theory and the generalized gradient approximation. In particular, we take into account the…

Materials Science · Physics 2009-11-13 Udo Schwingenschloegl , Cosima Schuster

We present the theory describing the various surface electronic states arisen from the mixing of conduction and valence bands in a strained mercury telluride (HgTe) bulk material. We demonstrate that the strain-induced band gap in the…

Mesoscale and Nanoscale Physics · Physics 2019-04-17 O. V. Kibis , O. Kyriienko , I. A. Shelykh

Complex materials encompassing different phases of matter can display new photoinduced metastable states differing from those attainable under equilibrium conditions. These states can be realized when energy is injected in the material…

Strongly Correlated Electrons · Physics 2024-06-27 Wibke Bronsch , Manuel Tuniz , Denny Puntel , Alessandro Giammarino , Fulvio Parmigiani , Yang-hao Chan , Federico Cilento

The electronic state of WTe2, a candidate of type-II Weyl semimetal, is investigated by using laser-based spin- and angle-resolved photoemission spectroscopy (SARPES). We prepare the pair of WTe2 samples, one with (001) surface and the…

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