Atomic and Electronic Structure of a Rashba pp-nn Junction at the BiTeI Surface

The non-centrosymmetric semiconductor BiTeI exhibits two distinct surface terminations that support spin-split Rashba surface states. Their ambipolarity can be exploited for creating spin-polarized $p$-$n$ junctions at the boundaries between domains with different surface terminations. We use scanning tunneling microscopy/spectroscopy (STM/STS) to locate such junctions and investigate their atomic and electronic properties. The Te- and I-terminated surfaces are identified owing to their distinct chemical reactivity, and an apparent height mismatch of electronic origin. The Rashba surface states are revealed in the STS spectra by the onset of a van Hove singularity at the band edge. Eventually, an electronic depletion is found on interfacial Te atoms, consistent with the formation of a space charge area in typical $p$-$n$ junctions.Comment: 5 pages, 4 figure

Giant alkali-metal-induced lattice relaxation as the driving force of the insulating phase of alkali-metal/Si(111):B

Ab initio density-functional theory calculations, photoemission spectroscopy (PES), scanning tunneling microscopy, and spectroscopy (STM, STS) have been used to solve the 2√3 x 2√3R30 surface reconstruction observed previously by LEED on 0.5 ML K/Si:B. A large K-induced vertical lattice relaxation occurring only for 3/4 of Si adatoms is shown to quantitatively explain both the chemical shift of 1.14 eV and the ratio 1/3 measured on the two distinct B 1s core levels. A gap is observed between valence and conduction surface bands by ARPES and STS which is shown to have mainly a Si-B character. Finally, the calculated STM images agree with our experimental results. This work solves the controversy about the origin of the insulating ground state of alkali-metal/Si(111):B semiconducting interfaces which were believed previously to be related to many-body effectsThis work has received the financial support of the French ANR SURMOTT program (ANR-09-BLAN- 0210-01) and the Spanish MICIIN under Project No. FIS2010-1604

Electronic Instability in a Zero-Gap Semiconductor: The Charge-DensityWave in (TaSe4)(2)I

We report a comprehensive study of the paradigmatic quasi-1D compound (TaSe4)(2)I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the nondistorted structure, with non-negligible interchain coupling. Theory and experiment support a Peierls-like scenario for the charge-density wave formation below T-CDW = 263 K, where the incommensurability is a direct consequence of the finite interchain coupling. The formation of small polarons, strongly suggested by the ARPES data, explains the puzzling semiconductor-to-semiconductor transition observed in transport at T-CDW.open114sciescopu

Giant ambipolar Rashba effect in a semiconductor: BiTeI

We observe a giant spin-orbit splitting in bulk and surface states of the non-centrosymmetric semiconductor BiTeI. We show that the Fermi level can be placed in the valence or in the conduction band by controlling the surface termination. In both cases it intersects spin-polarized bands, in the corresponding surface depletion and accumulation layers. The momentum splitting of these bands is not affected by adsorbate-induced changes in the surface potential. These findings demonstrate that two properties crucial for enabling semiconductor-based spin electronics -- a large, robust spin splitting and ambipolar conduction -- are present in this material.Comment: 4 pages, 3 figure

The momentum and photon energy dependence of the circular dichroic photoemission in the bulk Rashba semiconductors BiTeX (X = I, Br, Cl)

Bulk Rashba systems BiTeX (X = I, Br, Cl) are emerging as important candidates for developing spintronics devices, because of the coexistence of spin-split bulk and surface states, along with the ambipolar character of the surface charge carriers. The need of studying the spin texture of strongly spin-orbit coupled materials has recently promoted circular dichroic Angular Resolved Photoelectron Spectroscopy (cd-ARPES) as an indirect tool to measure the spin and the angular degrees of freedom. Here we report a detailed photon energy dependent study of the cd-ARPES spectra in BiTeX (X = I, Br and Cl). Our work reveals a large variation of the magnitude and sign of the dichroism. Interestingly, we find that the dichroic signal modulates differently for the three compounds and for the different spin-split states. These findings show a momentum and photon energy dependence for the cd-ARPES signals in the bulk Rashba semiconductor BiTeX (X = I, Br, Cl). Finally, the outcome of our experiment indicates the important relation between the modulation of the dichroism and the phase differences between the wave-functions involved in the photoemission process. This phase difference can be due to initial or final state effects. In the former case the phase difference results in possible interference effects among the photo-electrons emitted from different atomic layers and characterized by entangled spin-orbital polarized bands. In the latter case the phase difference results from the relative phases of the expansion of the final state in different outgoing partial waves.Comment: 6 pages, 4 figure

Electronic Instability in a Zero-Gap Semiconductor: The Charge-DensityWave in (TaSe4)(2)I

International audienceWe report a comprehensive study of the paradigmatic quasi-1D compound (TaSe4)(2)I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the nondistorted structure, with non-negligible interchain coupling. Theory and experiment support a Peierls-like scenario for the charge-density wave formation below T-CDW = 263 K, where the incommensurability is a direct consequence of the finite interchain coupling. The formation of small polarons, strongly suggested by the ARPES data, explains the puzzling semiconductor-to-semiconductor transition observed in transport at T-CDW

Structural and electronic properties of the Bi/Au(110)-1x4 surface

We report on the structural and electronic properties of the Bi/Au(110)-1 x 4 surface, by combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and first-principles calculations. The analysis of the precursor 1 x 8 moire structure shows that the 1 x 4 reconstruction forms at an optimum coverage of one monolayer. A hard-sphere model is proposed for the 1 x 4 structure and further confirmed by calculations. In this model, topmost Bi atoms form rows supported by a Bi overlayer, with no significant alloying with the substrate. This has important consequences regarding the electronic properties and the spin texture. The photoemission measurements evidence typical p Bi-induced states, that can have either quasi-one-or two-dimensional character depending on their binding energy. These states show no Rashba spin splitting, in agreement with the results of first-principles calculations. This finding is discussed by considering the role of hybridization with the substrate in the emergence of the Rashba effect

Metallic and semiconducting interfaces studied by electron spectroscopies

Cette thèse présente une étude des propriétés électroniques de systèmes de basse dimension à base de métaux et de semiconducteurs. La première partie de l'étude traite le confinement de l'état de Shockley dans des nanostructures tridimensionnelles d'Ag(111), par des mesures STM/STS à très basse température (5 K). Nous avons d'abord analysé en détail la structure en énergie et la distribution spatiale des modes confinés. Nous avons ensuite mis à profit la nature discrète du spectre en énergie pour étudier le temps de vie des quasiparticules. Un comportement typique de liquide de Fermi est mis en évidence, et nous montrons que le mécanisme de diffusion dominant est associé au couplage électron-phonon. La contribution extrinsèque provenant du confinement partiel de l'onde électronique a également été obtenue. Une loi d'échelle est observée avec la taille des nanostructures, ce qui permet d'extraire un coefficient de réflexion plus important que dans de simples ilôts monoatomiques. La seconde partie de l'étude est consacrée aux couches ultra-minces semiconductrices obtenues par dépôts d'alcalins (K, Rb, Cs) sur la surface Si(111):B-[racine]3. Ce travail résout la controverse concernant la nature de l'état fondamental de ce système, et notamment l'origine de la reconstruction 2[racine]3 obtenue à la saturation du taux de couverture. La compréhension en amont de la structure cristallographique permet d'élucider les propriétés électroniques. Nous montrons qu'une approche à un électron, conduisant à un isolant de bandes, décrit le système de manière convaincante, malgré l'indication de forts effets polaroniques. Ce résultat est le fruit d'une étude approfondie combinant des techniques diverses et complémentaires (LEED, ARPES, XPS, STM/STS et calcul DFT)This thesis is devoted to the electronic properties of low-dimensional systems based on metal and semiconducting materials. The first part deals with the Shockley state confinement in Ag(111) nanostructures, by means of very-low temperature (5 K) STM/STS measurements. We study the electronic structure and spatial distribution of the confined modes. Then the discrete nature of the electronic spectrum allows one to yield the quasiparticule lifetime. A Fermi-liquid behaviour is evidenced and we show that the dominant decay mechanism is attributed to the electron-phonon coupling. The extrinsic contribution arising from the partial confinement of the electronic wave is obtained as well. A scaling law with the nanostructure width is demonstrated, from which we deduce a higher reflection amplitude than in monoatomic islands. In the second part of the thesis, we study semiconducting ultra-thin films produced by alkali (K, Rb, Cs) deposition on the Si(111):B-[root of]3 surface. This work solves the controversy concerning the ground state of this system, and especially the nature of the 2[root of]3 surface recontruction obtained at saturation coverage. Prior understanding of the crystallographic structure allows to elucidate the electronic properties. We show that a one-electron picture, leading to a band insulator scenario, gives a good description of the system, in spite of strong polaronic effects. This conclusion results from an in-depth, combined study of complementary techniques (LEED, ARPES, XPS, STM/STS and DFT calculations)