Electronic structures of of PuX (X=S, Se, Te)

NASA Astrophysics Data System (ADS)

Maehira, Takahiro; Sakai, Eijiro; Tatetsu, Yasutomi

2013-08-01

We have calculated the energy band structures and the Fermi surfaces of PuS, PuSe, and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in the local density approximation. In general, the energy bands near the Fermi level are mainly caused by the hybridization between the Pu 5 f and the monochalcogenide p electrons. The obtained main Fermi surfaces consisted of two hole sheets and one electron sheet, which were constructed from the band having both the Pu 5 f state and the monochalcogenide p state.

Effective mass and Fermi surface complexity factor from ab initio band structure calculations

NASA Astrophysics Data System (ADS)

Gibbs, Zachary M.; Ricci, Francesco; Li, Guodong; Zhu, Hong; Persson, Kristin; Ceder, Gerbrand; Hautier, Geoffroy; Jain, Anubhav; Snyder, G. Jeffrey

2017-02-01

The effective mass is a convenient descriptor of the electronic band structure used to characterize the density of states and electron transport based on a free electron model. While effective mass is an excellent first-order descriptor in real systems, the exact value can have several definitions, each of which describe a different aspect of electron transport. Here we use Boltzmann transport calculations applied to ab initio band structures to extract a density-of-states effective mass from the Seebeck Coefficient and an inertial mass from the electrical conductivity to characterize the band structure irrespective of the exact scattering mechanism. We identify a Fermi Surface Complexity Factor: Nv*K* from the ratio of these two masses, which in simple cases depends on the number of Fermi surface pockets (Nv* ) and their anisotropy K*, both of which are beneficial to high thermoelectric performance as exemplified by the high values found in PbTe. The Fermi Surface Complexity factor can be used in high-throughput search of promising thermoelectric materials.

Quasi-continuous transition from a Fermi liquid to a spin liquid in κ-(ET)2Cu2(CN)3.

PubMed

Furukawa, Tetsuya; Kobashi, Kazuhiko; Kurosaki, Yosuke; Miyagawa, Kazuya; Kanoda, Kazushi

2018-01-22

The Mott metal-insulator transition-a manifestation of Coulomb interactions among electrons-is known as a discontinuous transition. Recent theoretical studies, however, suggest that the transition is continuous if the Mott insulator carries a spin liquid with a spinon Fermi surface. Here, we demonstrate the case of a quasi-continuous Mott transition from a Fermi liquid to a spin liquid in an organic triangular-lattice system κ-(ET) 2 Cu 2 (CN) 3 . Transport experiments performed under fine pressure tuning have found that as the Mott transition is approached, the Fermi liquid coherence temperature continuously falls to the scale of kelvins, with a divergent quasi-particle decay rate on the metal side, and the charge gap continuously closes on the insulator side. A Clausius-Clapeyron analysis provides thermodynamic evidence for the extremely weak first-order nature of the transition. These results provide additional support for the existence of a spinon Fermi surface, which becomes an electron Fermi surface when charges are delocalized.

Fermi surfaces of the pyrite-type cubic AuSb2 compared with split Fermi surfaces of the ullmannite-type cubic chiral NiSbS and PdBiSe

NASA Astrophysics Data System (ADS)

Nishimura, K.; Kakihana, M.; Nakamura, A.; Aoki, D.; Harima, H.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

We grew high-quality single crystals of AuSb2 with the pyrite (FeS2)-type cubic structure by the Bridgman method and studied the Fermi surface properties by the de Haas-van Alphen (dHvA) experiment and the full potential LAPW band calculation. The Fermi surfaces of AuSb2 are found to be similar to those of NiSbS and PdBiSe with the ullmannite (NiSbS)-type cubic chiral structure because the crystal structures are similar each other and the number of valence electrons is the same between two different compounds. Note that each Fermi surface splits into two Fermi surfaces in NiSbS and PdBiSe, reflecting the non-centrosymmetric crystal structure.

Electronic topological transitions in the AgPd system

NASA Astrophysics Data System (ADS)

Skorodumova, N. V.; Simak, S. I.; Smirnova, E. A.; Vekilov, Yu. Kh.

1995-02-01

“First-principles” LMTO-CPA calculations of the Fermi surfaces and thermodynamic properties of AgPd random alloys are presented. We show that there are at least four electronic topological transitions (ETT) in the system. The changes of the Fermi surface topology lead to the appearance of peculiarities in the concentration dependence of the thermodynamic (ground state) properties.

Electronic structures of Plutonium compounds with the NaCl-type monochalcogenides structure

NASA Astrophysics Data System (ADS)

Maehira, Takahiro; Tatetsu, Yasutomi

2012-12-01

We calculate the energy band structure and the Fermi surface of PuS, PuSe and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in a local density approximation. It is found in common that the energy bands in the vicinity of the Fermi level are mainly due to the hybridization between Pu 5/ and monochalcogenide p electrons. The obtained main Fermi surfaces are composed of two hole sheets and one electron sheet, all of which are constructed from the band having the Pu 5/ state and the monochalcogenide p state.

Spin-split fermi surfaces in CexLa1-xB6 and PrxLa1-xB6

NASA Astrophysics Data System (ADS)

Isshiki, T.; Endo, M.; Sugi, M.; Kimura, N.; Nakamura, S.; Nojima, T.; Aoki, H.; Kunii, S.

2006-05-01

We have performed the dHvA measurements on CexLa1-xB6 and PrxLa1-xB6 compounds to study spin splitting of the Fermi surfaces. In PrB 6 we have found new frequency branches to confirm that the Fermi surface splits into up and down spin Fermi surfaces, whereas no spin splitting has been found for x=0.25,0.5,0.75. We have also found several new frequency branches in CeB6. The new frequency branches imply that the Fermi surfaces of up and down spin conduction electrons are significantly different in CeB6 as well as in PrB6.

Secondary electron emission yield dependence on the Fermi level in Silicon

NASA Astrophysics Data System (ADS)

Urrabazo, David; Goeckner, Matthew; Overzet, Lawrence

2013-09-01

Secondary Electron Emission (SEE) by ion bombardment plays a key role in determining the properties of many plasmas. As a result, significant efforts have been expended to control the SEE coefficient (increasing or decreasing it) by tailoring the electron work function of surfaces. A few recent publications point to the possibility of controlling the SEE coefficient of semiconductor surfaces in real time through controlling the numbers of electrons in the conduction band near the surface. Large control over the plasma was achieved by injecting electrons into the semiconductor just under the cathode surface via a subsurface PN junction. The hypothesis was that SEE is dependent on the numbers of electrons in the conduction band near the surface (which is related to the position of the Fermi level near the surface). We are testing the validity of this hypothesis. We have begun fundamental ion beam studies to explore this possible dependence of SEE on the Fermi energy level using Si. Various doping levels and dopants are being evaluated and the results of these tests will be presented. This work was supported in part by US Dept. of Energy. Acknowledgement to Dr. L. Raja at UT Austin.

Fermi arc plasmons in Weyl semimetals

NASA Astrophysics Data System (ADS)

Song, Justin C. W.; Rudner, Mark S.

2017-11-01

In the recently discovered Weyl semimetals, the Fermi surface may feature disjoint, open segments—the so-called Fermi arcs—associated with topological states bound to exposed crystal surfaces. Here we show that the collective dynamics of electrons near such surfaces sharply departs from that of a conventional three-dimensional metal. In magnetic systems with broken time reversal symmetry, the resulting Fermi arc plasmons (FAPs) are chiral, with dispersion relations featuring open, hyperbolic constant frequency contours. As a result, a large range of surface plasmon wave vectors can be supported at a given frequency, with corresponding group velocity vectors directed along a few specific collimated directions. Fermi arc plasmons can be probed using near-field photonics techniques, which may be used to launch highly directional, focused surface plasmon beams. The unusual characteristics of FAPs arise from the interplay of bulk and surface Fermi arc carrier dynamics and give a window into the unusual fermiology of Weyl semimetals.

Electronic structure in high temperature superconducting oxides

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P.; Solal, F.; Fluss, M. J.; Tobin, J.; Obrien, J.; Radousky, H. B.; Haghighi, H.; Kaiser, J. H.; Rayner, S. L.

1991-08-01

We have performed measurements on entwined single crystals of YBCO using both photoemission and positron angular correlation of annihilation radiation and on single crystals of LSCO using only angular correlation. Fermi surface features in good agreement with band theory were found and identified in all of the measurements. In photoemission, the Fermi momentum was fixed for several points and the band dispersion below the Fermi energy was mapped. In positron angular correlation measurements, the shape of the Fermi surface was mapped for the CuO chains (YBCO) and the CuO planes (LSCO). Demonstration of the existence of Fermi surfaces in the HTSC materials points a direction for future theoretical considerations.

Large Fermi Surface of Heavy Electrons at the Border of Mott Insulating State in NiS 2

DOE PAGES

Friedemann, S.; Chang, H.; Gamża, M. B.; ...

2016-05-12

One early triumph of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states is correct for most materials this approach can fail spectacularly, when the electrostatic repulsion between electrons causes strong correlations. Not only can these favor new and subtle forms of matter, such as magnetism or superconductivity, they can even cause the electrons in a half-filled energy band to lock into position, producing a correlated, or Mott insulator. The transition into the Mott insulating state raises important fundamental questions. Foremost among these is the fate ofmore » the electronic Fermi surface and the associated charge carrier mass, as the Mott transition is approached. We report the first direct observation of the Fermi surface on the metallic side of a Mott insulating transition by high pressure quantum oscillatory measurements in NiS 2. We find our results point at a large Fermi surface consistent with Luttinger's theorem and a strongly enhanced quasiparticle effective mass. These two findings are in line with central tenets of the Brinkman-Rice picture of the correlated metal near the Mott insulating state and rule out alternative scenarios in which the carrier concentration vanishes continuously at the metal-insulator transition.« less

Fermi-surface reconstruction and the origin of high-temperature superconductivity.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Norman, M. R.; Materials Science Division

2010-01-01

In crystalline lattices, the conduction electrons form waves, known as Bloch states, characterized by a momentum vector k. The defining characteristic of metals is the surface in momentum space that separates occupied from unoccupied states. This 'Fermi' surface may seem like an abstract concept, but it can be measured and its shape can have profound consequences for the thermal, electronic, and magnetic properties of a material. In the presence of an external magnetic field B, electrons in a metal spiral around the field direction, and within a semiclassical momentum-space picture, orbit around the Fermi surface. Physical properties, such as themore » magnetization, involve a sum over these orbits, with extremal orbits on the Fermi surface, i.e., orbits with minimal or maximal area, dominating the sum [Fig. 1(a)]. Upon quantization, the resulting electron energy spectrum consists of Landau levels separated by the cyclotron energy, which is proportional to the magnetic field. As the magnetic field causes subsequent Landau levels to cross through the Fermi energy, physical quantities, such as the magnetization or resistivity, oscillate in response. It turns out that the period of these oscillations, when plotted as a function of 1/B, is proportional to the area of the extremal orbit in a plane perpendicular to the applied field [Fig. 1(b)]. The power of the quantum oscillation technique is obvious: By changing the field direction, one can map out the Fermi surface, much like a blind man feeling an elephant. The nature and topology of the Fermi surface in high-T{sub c} cuprates has been debated for many years. Soon after the materials were discovered by Bednorz and Mueller, it was realized that superconductivity was obtained by doping carriers into a parent insulating state. This insulating state appears to be due to strong electronic correlations, and is known as a Mott insulator. In the case of cuprates, the electronic interactions force the electrons on the copper ion lattice into a d{sup 9} configuration, with one localized hole in the 3d shell per copper site. Given the localized nature of this state, it was questioned whether a momentum-space picture was an appropriate description of the physics of the cuprates. In fact, this question relates to a long-standing debate in the physics community: Since the parent state is also an antiferromagnet, one can, in principle, map the Mott insulator to a band insulator with magnetic order. In this 'Slater' picture, Mott physics is less relevant than the magnetism itself. It is therefore unclear which of the two, magnetism or Mott physics, is more fundamentally tied to superconductivity in the cuprates. After twenty years of effort, definitive quantum oscillations that could be used to map the Fermi surface were finally observed in a high-temperature cuprate superconductor in 2007. This and subsequent studies reveal a profound rearrangement of the Fermi surface in underdoped cuprates. The cause of the reconstruction, and its implication for the origin of high-temperature superconductivity, is a subject of active debate.« less

Positron Annihilation Studies of the Electronic Structure of Selected High-Temperature Cuprate and Organic Superconductors.

NASA Astrophysics Data System (ADS)

Chan, Lie Ping

The understanding of the electronic structure of the high-T_{c} superconductors could be important for a full theoretical description of the mechanism behind superconductivity in these materials. In this thesis, we present our measurements of the positron -electron momentum distributions of the cuprate superconductors Bi_2Sr_2CaCu _2O_8, Tl _2Ba_2Ca _2Cu_3O_ {10}, and the organic superconductor kappa-(BEDT)_2Cu(NCS) _2. We use the positron Two-dimensional Angular Correlation of Annihilation Radiation technique to make the measurements on single crystals and compare our high-statistics data with band structure calculations to determine the existence and nature of the respective Fermi surfaces. The spectra from unannealed Bi _2Sr_2CaCu _2O_8 exhibit effects of the superlattice modulation in the BiO_2 layers, and a theoretical understanding of the modulation effects on the electronic band structure is required to interpret these spectra. Since the present theory does not consider the modulation, we have developed a technique to remove the modulation effects from our spectra, and the resultant data when compared with the positron -electron momentum distribution calculation, yield features consistent with the predicted CuO_2 and BiO_2 Fermi surfaces. In the data from unannealed Tl_2Ba _2Ca_2Cu_3 O_{10}, we only observe indications of the TlO Fermi surfaces, and attribute the absence of the predicted CuO_2 Fermi surfaces to the poor sample quality. In the absence of positron-electron momentum calculations for kappa-(BEDT)_2Cu(NCS) _2, we compare our data to electronic band structure calculations, and observed features suggestive of the predicted Fermi surface contributions from the BEDT cation layers. A complete positron-electron calculation for kappa-(BEDT)_2 Cu(NCS)_2 is required to understand the positron wavefunction effects in this material.

Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces

NASA Astrophysics Data System (ADS)

Segev, D.; Van de Walle, C. G.

2006-10-01

Using band structure and total energy methods, we study the atomic and electronic structures of the polar (+c and - c plane) and nonpolar (a and m plane) surfaces of GaN and InN. We identify two distinct microscopic origins for Fermi-level pinning on GaN and InN, depending on surface stoichiometry and surface polarity. At moderate Ga/N ratios unoccupied gallium dangling bonds pin the Fermi level on n-type GaN at 0.5 0.7 eV below the conduction-band minimum. Under highly Ga-rich conditions metallic Ga adlayers lead to Fermi-level pinning at 1.8 eV above the valence-band maximum. We also explain the source of the intrinsic electron accumulation that has been universally observed on polar InN surfaces. It is caused by In-In bonds leading to occupied surface states above the conduction-band minimum. We predict that such a charge accumulation will be absent on the nonpolar surfaces of InN, when prepared under specific conditions.

Fermi Surface as a Driver for the Shape-Memory Effect in AuZn

NASA Astrophysics Data System (ADS)

Lashley, Jason

2005-03-01

Martensites are materials that undergo diffusionless, solid-state transitions. The martensitic transition yields properties that depend on the history of the material and if reversible can allow it to recover its previous shape after plastic deformation. This is known as the shape-memory effect (SME). We have succeeded in identifying the operative electronic mechanism responsible for the martensitic transition in the shape-memory alloy AuZn by using Fermi-surface measurements (de Haas-van Alphen oscillations) and band-structure calculations. Our findings suggest that electronic band structure gives rise to special features on the Fermi surface that is important to consider in the design of SME alloys.

a Positron Study of the Electronic Structure of Yttrium Barium Copper Oxide.

NASA Astrophysics Data System (ADS)

Haghighi, Hossein

The work described in this thesis is concerned with a study of the electronic structure of the high T _{c} superconductor YBa _2Cu_3O _7 using the technique of two dimensional angular correlation of annihilation radiation (2D-ACAR). We have studied this compound with a view to clarifying whether YBa_2Cu_3O _7 possess a Fermi surface. The numerous different theories that have been proposed to explain the superconductivity phase of these types of materials can be classified into two main groups. The theories in the first group assume the existence of a conventional Fermi fluid and Fermi surface. The alternative more exotic models do not require a Fermi surface but are based on the Mott-Hubbard model of strongly correlated charge and spin excitations. Prior to this work all 2D-ACAR studies of YBa _2Cu_3O _7 involved twinned crystals and modest statistics and little of significance was learned other than that, consistent with that of predictions of theory, the positron was preferentially annihilating on the copper-oxygen chains. The studies of untwinned crystals of YBa_2Cu _3O_7, herein described are of much higher statistics and resulted in one of the clearest imaginable manifestations of a Fermi surface in the form of an extended discontinuity in the measured momentum spectrum. This discontinuity is even more apparent in the LCW-folded spectrum with a form and profile in substantial agreement with the theoretical predictions of a Gamma-X electron ridge Fermi surface section arising from states in the Cu-O chains.

Electronic structures of U X3 (X =Al , Ga, and In) studied by photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Fujimori, Shin-ichi; Kobata, Masaaki; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Fujimori, Atsushi; Yamagami, Hiroshi; Haga, Yoshinori; Yamamoto, Etsuji; Ōnuki, Yoshichika

2017-09-01

The electronic structures of U X3 (X =Al , Ga , and In ) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl3 and UGa3 were revealed experimentally by angle-resolved photoelectron spectroscopy (ARPES), and they were compared with the result of band-structure calculations. The topologies of the Fermi surfaces and the band structures of UAl3 and UGa3 were explained reasonably well by the calculation, although bands near the Fermi level (EF) were renormalized owing to the finite electron correlation effect. The topologies of the Fermi surfaces of UAl3 and UGa3 are very similar to each other, except for some minor differences. Such minor differences in their Fermi surface or electron correlation effect might take an essential role in their different magnetic properties. No significant changes were observed between the ARPES spectra of UGa3 in the paramagnetic and antiferromagnetic phases, suggesting that UGa3 is an itinerant weak antiferromagnet. The effect of chemical pressure on the electronic structures of U X3 compounds was also studied by utilizing the smaller lattice constants of UAl3 and UGa3 than that of UIn3. The valence band spectrum of UIn3 is accompanied by a satellitelike structure on the high-binding-energy side. The core-level spectrum of UIn3 is also qualitatively different from those of UAl3 and UGa3. These findings suggest that the U 5 f states in UIn3 are more localized than those in UAl3 and UGa3.

Superconductivity across Lifshitz transition and anomalous insulating state in surface K-dosed (Li0.8Fe0.2OH)FeSe.

PubMed

Ren, Mingqiang; Yan, Yajun; Niu, Xiaohai; Tao, Ran; Hu, Die; Peng, Rui; Xie, Binping; Zhao, Jun; Zhang, Tong; Feng, Dong-Lai

2017-07-01

In iron-based superconductors, understanding the relation between superconductivity and electronic structure upon doping is crucial for exploring the pairing mechanism. Recently, it was found that, in iron selenide (FeSe), enhanced superconductivity ( T c of more than 40 K) can be achieved via electron doping, with the Fermi surface only comprising M-centered electron pockets. By using surface K dosing, scanning tunneling microscopy/spectroscopy, and angle-resolved photoemission spectroscopy, we studied the electronic structure and superconductivity of (Li 0.8 Fe 0.2 OH)FeSe in the deep electron-doped regime. We find that a Γ-centered electron band, which originally lies above the Fermi level ( E F ), can be continuously tuned to cross E F and contribute a new electron pocket at Γ. When this Lifshitz transition occurs, the superconductivity in the M-centered electron pocket is slightly suppressed, and a possible superconducting gap with a small size (up to ~5 meV) and a dome-like doping dependence is observed on the new Γ electron pocket. Upon further K dosing, the system eventually evolves into an insulating state. Our findings provide new clues to understand superconductivity versus Fermi surface topology and the correlation effect in FeSe-based superconductors.

Superconductivity across Lifshitz transition and anomalous insulating state in surface K–dosed (Li0.8Fe0.2OH)FeSe

PubMed Central

Ren, Mingqiang; Yan, Yajun; Niu, Xiaohai; Tao, Ran; Hu, Die; Peng, Rui; Xie, Binping; Zhao, Jun; Zhang, Tong; Feng, Dong-Lai

2017-01-01

In iron-based superconductors, understanding the relation between superconductivity and electronic structure upon doping is crucial for exploring the pairing mechanism. Recently, it was found that, in iron selenide (FeSe), enhanced superconductivity (Tc of more than 40 K) can be achieved via electron doping, with the Fermi surface only comprising M-centered electron pockets. By using surface K dosing, scanning tunneling microscopy/spectroscopy, and angle-resolved photoemission spectroscopy, we studied the electronic structure and superconductivity of (Li0.8Fe0.2OH)FeSe in the deep electron-doped regime. We find that a Γ-centered electron band, which originally lies above the Fermi level (EF), can be continuously tuned to cross EF and contribute a new electron pocket at Γ. When this Lifshitz transition occurs, the superconductivity in the M-centered electron pocket is slightly suppressed, and a possible superconducting gap with a small size (up to ~5 meV) and a dome-like doping dependence is observed on the new Γ electron pocket. Upon further K dosing, the system eventually evolves into an insulating state. Our findings provide new clues to understand superconductivity versus Fermi surface topology and the correlation effect in FeSe-based superconductors. PMID:28740865

Electronic structure basis for the extraordinary magnetoresistance in WTe 2

DOE PAGES

Pletikosić, I.; Ali, Mazhar N.; Fedorov, A. V.; ...

2014-11-19

The electronic structure basis of the extremely large magnetoresistance in layered non-magnetic tungsten ditelluride has been investigated by angle-resolved photoelectron spectroscopy. Hole and electron pockets of approximately the same size were found at the Fermi level, suggesting that carrier compensation should be considered the primary source of the effect. The material exhibits a highly anisotropic, quasi one-dimensional Fermi surface from which the pronounced anisotropy of the magnetoresistance follows. As a result, a change in the Fermi surface with temperature was found and a high-density-of-states band that may take over conduction at higher temperatures and cause the observed turn-on behavior ofmore » the magnetoresistance in WTe₂ was identified.« less

Thermally Driven Electronic Topological Transition in FeTi

NASA Astrophysics Data System (ADS)

Yang, F. C.; Muñoz, J. A.; Hellman, O.; Mauger, L.; Lucas, M. S.; Tracy, S. J.; Stone, M. B.; Abernathy, D. L.; Xiao, Yuming; Fultz, B.

2016-08-01

Ab initio molecular dynamics, supported by inelastic neutron scattering and nuclear resonant inelastic x-ray scattering, showed an anomalous thermal softening of the M5- phonon mode in B 2 -ordered FeTi that could not be explained by phonon-phonon interactions or electron-phonon interactions calculated at low temperatures. A computational investigation showed that the Fermi surface undergoes a novel thermally driven electronic topological transition, in which new features of the Fermi surface arise at elevated temperatures. The thermally induced electronic topological transition causes an increased electronic screening for the atom displacements in the M5- phonon mode and an adiabatic electron-phonon interaction with an unusual temperature dependence.

Fermi Surface Properties, Metamagnetic Transition and Quantum Phase Transition of CeRu2Si2 and Its Alloys Probed by the dHvA Effect

NASA Astrophysics Data System (ADS)

Aoki, Haruyoshi; Kimura, Noriaki; Terashima, Taichi

2014-07-01

This article describes the Fermi surface properties of CeRu2Si2 and its alloy systems CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 studied by the de Haas-van Alphen (dHvA) effect. We pay particular attention to how the Fermi surface properties and the f electron state change with magnetic properties, in particular how they change associated with metamagnetic transition and quantum phase transition. After summarizing the important physical properties of CeRu2Si2, we present the magnetic phase diagrams of CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 as a function of temperature, magnetic field and concentration x. From the characteristic features of the magnetic phase diagram, we argue that the ferromagnetic interaction in addition to the antiferromagnetic interaction and the Kondo effect is responsible for the magnetic properties and that the metamagnetic transitions in these systems are relevant to the ferromagnetic interaction. We summarize the Fermi surface properties of CeRu2Si2 in fields below the metamagnetic transition where the f electron state is now well understood theoretically as well as experimentally. We present experimental results in fields above the metamagnetic transitions in CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 as well as CeRu2Si2 to show that the Fermi surface properties above the metamagnetic transitions are significantly different from those below in many important aspects. We argue that the Fermi surface properties above the metamagnetic transitions are not appropriately described in terms of either itinerant or localized f electron. The experimental results in fields below the metamagnetic transitions in CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 are presented to discuss the f electron state in the ground state. The Fermi surface properties of dilute Kondo alloys of CexLa1-xRu2Si2 have been revealed as a function of Ce concentration and temperature. We show that the f electron state can be regarded as itinerant in the ground state together with the definition of the term "itinerant" in this case. The Fermi surface properties are measured also in high concentration alloys of CeRu2(SixGe1-x)2 and CexLa1-xRu2Si2 as a function of x. With the help of the angle resolved photoemission spectroscopy studies, we show that the f electron nature does not change at the quantum phase transition between the paramagnetic and antiferromagnetic phases. However, the picture for the f electron state may be ambiguous and depend on which property one considers in the magnetic states of these systems. The ambiguity and confusion of the f electron state may come from the inherent dual nature of the f electron and we would like to point out that it is sometimes misleading and may not be fruitful to discriminate the f electron state either as itinerant or localized without any clear definition for the terms "itinerant" and "localized".

Doping dependence of charge order in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Mou, Yingping; Feng, Shiping

2017-12-01

In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped cuprate superconductors is investigated based on the t-J model. The experimentally observed momentum dependence of the electron quasiparticle scattering rate is qualitatively reproduced, where the scattering rate is highly anisotropic in momentum space, and is intriguingly related to the charge-order gap. Although the scattering strength appears to be weakest at the hot spots, the scattering in the antinodal region is stronger than that in the nodal region, which leads to the original electron Fermi surface is broken up into the Fermi pockets and their coexistence with the Fermi arcs located around the nodal region. In particular, this electron Fermi surface instability drives the charge-order correlation, with the charge-order wave vector that matches well with the wave vector connecting the hot spots, as the charge-order correlation in the hole-doped counterparts. However, in a striking contrast to the hole-doped case, the charge-order wave vector in the electron-doped side increases in magnitude with the electron doping. The theory also shows the existence of a quantitative link between the single-electron fermiology and the collective response of the electron density.

Anisotropy of the Fermi surface, Fermi velocity, many-body enhancement, and superconducting energy gap in Nb

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crabtree, G.W.; Dye, D.H.; Karim, D.P.

1987-02-01

The detailed angular dependence of the Fermi radius k/sub F/, the Fermi velocity v/sub F/(k), the many-body enhancement factor lambda(k), and the superconducting energy gap ..delta..(k), for electrons on the Fermi surface of Nb are derived with use of the de Haas--van Alphen (dHvA) data of Karim, Ketterson, and Crabtree (J. Low Temp. Phys. 30, 389 (1978)), a Korringa-Kohn-Rostoker parametrization scheme, and an empirically adjusted band-structure calculation of Koelling. The parametrization is a nonrelativistic five-parameter fit allowing for cubic rather than spherical symmetry inside the muffin-tin spheres. The parametrized Fermi surface gives a detailed interpretation of the previously unexplained kappa,more » ..cap alpha..', and ..cap alpha..'' orbits in the dHvA data. Comparison of the parametrized Fermi velocities with those of the empirically adjusted band calculation allow the anisotropic many-body enhancement factor lambda(k) to be determined. Theoretical calculations of the electron-phonon interaction based on the tight-binding model agree with our derived values of lambda(k) much better than those based on the rigid-muffin-tin approximation. The anisotropy in the superconducting energy gap ..delta..(k) is estimated from our results for lambda(k), assuming weak anisotropy.« less

Anisotropy of the Fermi surface, Fermi velocity, many-body enhancement, and superconducting energy gap in Nb

NASA Astrophysics Data System (ADS)

Crabtree, G. W.; Dye, D. H.; Karim, D. P.; Campbell, S. A.; Ketterson, J. B.

1987-02-01

The detailed angular dependence of the Fermi radius kF, the Fermi velocity vF(k), the many-body enhancement factor λ(k), and the superconducting energy gap Δ(k), for electrons on the Fermi surface of Nb are derived with use of the de Haas-van Alphen (dHvA) data of Karim, Ketterson, and Crabtree [J. Low Temp. Phys. 30, 389 (1978)], a Korringa-Kohn-Rostoker parametrization scheme, and an empirically adjusted band-structure calculation of Koelling. The parametrization is a nonrelativistic five-parameter fit allowing for cubic rather than spherical symmetry inside the muffin-tin spheres. The parametrized Fermi surface gives a detailed interpretation of the previously unexplained κ, α', and α'' orbits in the dHvA data. Comparison of the parametrized Fermi velocities with those of the empirically adjusted band calculation allow the anisotropic many-body enhancement factor λ(k) to be determined. Theoretical calculations of the electron-phonon interaction based on the tight-binding model agree with our derived values of λ(k) much better than those based on the rigid-muffin-tin approximation. The anisotropy in the superconducting energy gap Δ(k) is estimated from our results for λ(k), assuming weak anisotropy.

Converting topological insulators into topological metals within the tetradymite family

NASA Astrophysics Data System (ADS)

Chen, K.-W.; Aryal, N.; Dai, J.; Graf, D.; Zhang, S.; Das, S.; Le Fèvre, P.; Bertran, F.; Yukawa, R.; Horiba, K.; Kumigashira, H.; Frantzeskakis, E.; Fortuna, F.; Balicas, L.; Santander-Syro, A. F.; Manousakis, E.; Baumbach, R. E.

2018-04-01

We report the electronic band structures and concomitant Fermi surfaces for a family of exfoliable tetradymite compounds with the formula T2C h2P n , obtained as a modification to the well-known topological insulator binaries Bi2(Se,Te ) 3 by replacing one chalcogen (C h ) with a pnictogen (P n ) and Bi with the tetravalent transition metals T = Ti, Zr, or Hf. This imbalances the electron count and results in layered metals characterized by relatively high carrier mobilities and bulk two-dimensional Fermi surfaces whose topography is well-described by first-principles calculations. Intriguingly, slab electronic structure calculations predict Dirac-like surface states. In contrast to Bi2Se3 , where the surface Dirac bands are at the Γ point, for (Zr,Hf ) 2Te2 (P,As) there are Dirac cones of strong topological character around both the Γ ¯ and M ¯ points, which are above and below the Fermi energy, respectively. For Ti2Te2P , the surface state is predicted to exist only around the M ¯ point. In agreement with these predictions, the surface states that are located below the Fermi energy are observed by angle-resolved photoemission spectroscopy measurements, revealing that they coexist with the bulk metallic state. Thus this family of materials provides a foundation upon which to develop novel phenomena that exploit both the bulk and surface states (e.g., topological superconductivity).

Optically induced Lifshitz transition in bilayer graphene

NASA Astrophysics Data System (ADS)

Iorsh, I. V.; Dini, K.; Kibis, O. V.; Shelykh, I. A.

2017-10-01

It is shown theoretically that the renormalization of the electron energy spectrum of bilayer graphene with a strong high-frequency electromagnetic field (dressing field) results in the Lifshitz transition—the abrupt change in the topology of the Fermi surface near the band edge. This effect substantially depends on the polarization of the field: The linearly polarized dressing field induces the Lifshitz transition from the quadruply connected Fermi surface to the doubly connected one, whereas the circularly polarized field induces the multicritical point where the four different Fermi topologies may coexist. As a consequence, the discussed phenomenon creates a physical basis to control the electronic properties of bilayer graphene with light.

Direct, experimental evidence of the Fermi surface in YBa2Cu3O(7-x)

NASA Astrophysics Data System (ADS)

Haghighi, H.; Kaiser, J. H.; Rayner, S. L.; West, R. N.; Liu, J. Z.; Shelton, R.; Howell, R. H.; Sterne, P. A.; Solal, F. R.; Fluss, M. J.

1991-04-01

We report new measurements of the electron positron momentum spectra of YBa2Cu3O(7-x) performed with ultra-high statistical precision. These data differ from previous results in two significant respects: They show the D(sub 2) symmetry appropriate for untwinned crystals and, more importantly, they show unmistakable, statistically significant, discontinuities that are evidence of a major Fermi surface section. These results provide a partial answer to a question of special significance to the study of high temperature superconductors i.e., the distribution of the electrons in the material, the electronic structure. Special consideration has been given both experimentally and theoretically to the existence and shape of a Fermi surface in the materials and to the superconducting gap. There are only three experimental techniques that can provide details of the electronic structure at useful resolutions. They are angular correlation of positron annihilation radiation, ACAR, angle resolved photo emission, PE, and de Haas van Alphen measurements.

Evolution of the electronic structure of La2-xSrxCuO4 with doping determined by positron-annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P. A.; Fluss, M. J.; Kaiser, J. H.; Kitazawa, K.; Kojima, H.

1994-05-01

We have measured and calculated the electron-positron momentum distribution of La2-xSrxCuO4 samples for Sr concentrations of 0, 0.1, 0.13, and 0.2. Measured distributions were obtained at room temperature with high statistical precision, greater than 4×108 events, in the Lawrence Livermore National Laboratory positron-annihilation angular correlation spectrometer on single-crystal samples fabricated using the traveling solvent floating zone technique. Corresponding theoretical momentum-density calculations were performed using the linear muffin-tin-orbital method. The momentum distribution of all samples contained features derived from the overlap of the positron distribution with the valence electrons. In addition, discontinuities typical of a Fermi surface are seen in the doped samples. The form and position of these features are in general agreement with the Fermi surface and overall momentum distributions as predicted by band theory. However, the evolution of the Fermi surface with doping differed significantly from expectations based on single electron band theories.

3D Quantum Hall Effect of Fermi Arc in Topological Semimetals

NASA Astrophysics Data System (ADS)

Wang, C. M.; Sun, Hai-Peng; Lu, Hai-Zhou; Xie, X. C.

2017-09-01

The quantum Hall effect is usually observed in 2D systems. We show that the Fermi arcs can give rise to a distinctive 3D quantum Hall effect in topological semimetals. Because of the topological constraint, the Fermi arc at a single surface has an open Fermi surface, which cannot host the quantum Hall effect. Via a "wormhole" tunneling assisted by the Weyl nodes, the Fermi arcs at opposite surfaces can form a complete Fermi loop and support the quantum Hall effect. The edge states of the Fermi arcs show a unique 3D distribution, giving an example of (d -2 )-dimensional boundary states. This is distinctly different from the surface-state quantum Hall effect from a single surface of topological insulator. As the Fermi energy sweeps through the Weyl nodes, the sheet Hall conductivity evolves from the 1 /B dependence to quantized plateaus at the Weyl nodes. This behavior can be realized by tuning gate voltages in a slab of topological semimetal, such as the TaAs family, Cd3 As2 , or Na3Bi . This work will be instructive not only for searching transport signatures of the Fermi arcs but also for exploring novel electron gases in other topological phases of matter.

Thermally Driven Electronic Topological Transition in FeTi

DOE PAGES

Yang, F. C.; Muñoz, J. A.; Hellman, O.; ...

2016-08-08

In this paper, ab initio molecular dynamics, supported by inelastic neutron scattering and nuclear resonant inelastic x-ray scattering, showed an anomalous thermal softening of the M 5 - phonon mode in B2-ordered FeTi that could not be explained by phonon-phonon interactions or electron-phonon interactions calculated at low temperatures. A computational investigation showed that the Fermi surface undergoes a novel thermally driven electronic topological transition, in which new features of the Fermi surface arise at elevated temperatures. Finally, the thermally induced electronic topological transition causes an increased electronic screening for the atom displacements in the M 5 - phonon mode andmore » an adiabatic electron-phonon interaction with an unusual temperature dependence.« less

A comparative study of different methods for calculating electronic transition rates

NASA Astrophysics Data System (ADS)

Kananenka, Alexei A.; Sun, Xiang; Schubert, Alexander; Dunietz, Barry D.; Geva, Eitan

2018-03-01

We present a comprehensive comparison of the following mixed quantum-classical methods for calculating electronic transition rates: (1) nonequilibrium Fermi's golden rule, (2) mixed quantum-classical Liouville method, (3) mean-field (Ehrenfest) mixed quantum-classical method, and (4) fewest switches surface-hopping method (in diabatic and adiabatic representations). The comparison is performed on the Garg-Onuchic-Ambegaokar benchmark charge-transfer model, over a broad range of temperatures and electronic coupling strengths, with different nonequilibrium initial states, in the normal and inverted regimes. Under weak to moderate electronic coupling, the nonequilibrium Fermi's golden rule rates are found to be in good agreement with the rates obtained via the mixed quantum-classical Liouville method that coincides with the fully quantum-mechanically exact results for the model system under study. Our results suggest that the nonequilibrium Fermi's golden rule can serve as an inexpensive yet accurate alternative to Ehrenfest and the fewest switches surface-hopping methods.

Electronic characteristics of Tl 2Ba 2CuO 6. Fermi surface, positron wavefunction, electric field gradients, and transport parameters

NASA Astrophysics Data System (ADS)

Singh, David J.; Pickett, Warren E.

1992-12-01

A number of properties identifiable from the electronic bands and one-electron wavefunctions have been obtained from a well converged self-consistent calculation of the electronic structure of Tl 2Ba 2CuO 6. The Fermi surface is found to consist of two sheets: a two-dimensional barrel surface arising from the CuO 2 layer, and a three-dimensional spheroid arising from states with strong TlO character but actually extending throughout all layers of the structure. This feature has important implications for the transport properties, and especially for the degree of anisotropy. We compare with transport data on single crystals of Tl 2Ba 2CuO 6. The calculated Fermi surface of the spheroid is found to be in substantial agreement with the measured period of magnetization oscillations in the de Haas-van Alphen effect by Kido et al. The positron wavefunction engulfs the CuO 2 layers, making this material a promising case for mapping out with positron 2D-ACAR the layer-derived Fermi surface that is believed to be central to high-temperature superconductivity. The electric field gradients are predicted and compared with calculations for other cuprates. The Hall coefficient RHxyz (carrier motion on the a-b plane) is found to be positive and within a factor of 1.5 of that measured on ceramic samples, while the other non-vanishing component of the Hall tensor is predicted to be negative.

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

NASA Astrophysics Data System (ADS)

Debehets, J.; Homm, P.; Menghini, M.; Chambers, S. A.; Marchiori, C.; Heyns, M.; Locquet, J. P.; Seo, J. W.

2018-05-01

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-level pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.

Shubnikov-de Haas quantum oscillations reveal a reconstructed Fermi surface near optimal doping in a thin film of the cuprate superconductor Pr 1.86 Ce 0.14 CuO 4 ± δ

DOE PAGES

Breznay, Nicholas P.; Hayes, Ian M.; Ramshaw, B. J.; ...

2016-09-16

In this work, we study magnetotransport properties of the electron-doped superconductor Pr 2-xCe xCuO 4±δ with x = 0.14 in magnetic fields up to 92 T, and observe Shubnikov-de Haas magnetic quantum oscillations. The oscillations display a single frequency F = 255 ± 10 T, indicating a small Fermi pocket that is ~1 % of the two-dimensional Brillouin zone and consistent with a Fermi surface reconstructed from the large holelike cylinder predicted for these layered materials. Despite the low nominal doping, all electronic properties including the effective mass and Hall effect are consistent with overdoped compounds. In conclusion, our studymore » demonstrates that the exceptional chemical control afforded by high quality thin films will enable Fermi surface studies deep into the overdoped cuprate phase diagram.« less

Magnetic field-induced Fermi surface reconstruction and quantum criticality in CeRhIn 5

DOE PAGES

Jiao, Lin; Weng, Z. F.; Smidman, Michael; ...

2017-02-06

Here, we present detailed results of the field evolution of the de Haas–van Alphen (dHvA) effect in CeRhIn 5. A magnetic field-induced reconstruction of the Fermi surface is clearly shown to occur inside the antiferromagnetic state, in an applied field of around B* ≃ 30 T, which is evidenced by the appearance of several new dHvA branches. The angular dependence of the dHvA frequencies reveals that the Fermi surfaces of CeRhIn 5 at B > B* and CeCoIn5 are similar. The results suggest that the Ce-4f electrons in become itinerant at B > B* due to the Kondo effect, priormore » to the field-induced quantum critical point (QCP) at Bc0 ≃ 50 T. The electronic states at the field-induced QCP are therefore different from that of the pressure-induced QCP where a dramatic Fermi surface reconstruction occurs exactly at the critical pressure, indicating that multiple types of QCP may exist in CeRhIn 5.« less

The electronic structure of the high-TC cuprates within the hidden rotating order

NASA Astrophysics Data System (ADS)

Azzouz, M.; Ramakko, B. W.; Presenza-Pitman, G.

2010-09-01

The doping dependence of the Fermi surface and energy distribution curves of the high-TC cuprate materials La2 - xSrxCuO4 and Bi2Sr2CaCu2O8 + δ are analyzed within the rotating antiferromagnetism theory. Using three different quantities; the k-dependent occupation probability, the spectral function, and the chemical potential (energy spectra), the Fermi surface is calculated and compared to experimental data for La2 - xSrxCuO4. The Fermi surface we calculate evolves from hole-like pockets in the underdoped regime to large electron-like contours in the overdoped regime. This is in agreement with recent findings by Sebastian et al for the α-pocket of Y Ba2Cu3O6 + x (2010 Phys. Rev. B 81 214524). In addition, the full width at half maximum of the energy distribution curves is found to behave linearly with their peak position in agreement with experiment for Bi2Sr2CaCu2O8 + δ. The effect of scattering on both the Fermi surface and energy distribution curves is examined.

Quantum oscillations from the reconstructed Fermi surface in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Higgins, J. S.; Chan, M. K.; Sarkar, Tarapada; McDonald, R. D.; Greene, R. L.; Butch, N. P.

2018-04-01

We have studied the electronic structure of electron-doped cuprate superconductors via measurements of high-field Shubnikov–de Haas oscillations in thin films. In optimally doped Pr2‑x Ce x CuO4±δ and La2‑x Ce x CuO4±δ , quantum oscillations indicate the presence of a small Fermi surface, demonstrating that electronic reconstruction is a general feature of the electron-doped cuprates, despite the location of the superconducting dome at very different doping levels. Negative high-field magnetoresistance is correlated with an anomalous low-temperature change in scattering that modifies the amplitude of quantum oscillations. This behavior is consistent with effects attributed to spin fluctuations.

Dirac points, spinons and spin liquid in twisted bilayer graphene

NASA Astrophysics Data System (ADS)

Irkhin, V. Yu.; Skryabin, Yu. N.

2018-05-01

Twisted bilayer graphene is an excellent example of highly correlated system demonstrating a nearly flat electron band, the Mott transition and probably a spin liquid state. Besides the one-electron picture, analysis of Dirac points is performed in terms of spinon Fermi surface in the limit of strong correlations. Application of gauge field theory to describe deconfined spin liquid phase is treated. Topological quantum transitions, including those from small to large Fermi surface in the presence of van Hove singularities, are discussed.

Study of sulfur bonding on gallium arsenide (100) surfaces using supercritical fluid extraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cabauy, P.; Darici, Y.; Furton, K.G.

1995-12-01

In the last decades Gallium Arsenide (GaAs) has been considered the semiconductor that will replace silicon because of its direct band gap and high electron mobility. Problems with GaAs Fermi level pinning has halted its widespread use in the electronics industry. The formation of oxides on GaAs results in a high density of surface states that effectively pin the surface Fermi level at the midgap. Studies on sulfur passivation have eliminated oxidation and virtually unpinned the Fermi level on the GaAs surface. This has given rise to interest in sulfur-GaAs bonds. In this presentation, we will discuss the types ofmore » sulfur bonds extracted from a sulfur passivated GaAs (100) using Supercritical Fluid (CO2) Extraction (SFE). SFE can be a valuable tool in the study of chemical speciations on semiconductor surfaces. The variables evaluated to effectively study the sulfur species from the GaAs surface include passivation techniques, supercritical fluid temperatures, densities, and extraction times.« less

Absence of Dirac states in BaZnBi 2 induced by spin-orbit coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Weijun; Wang, Aifeng; Graf, D.

We report magnetotransport properties of BaZnBi 2 single crystals. Whereas electronic structure features Dirac states, such states are removed from the Fermi level by spin-orbit coupling (SOC) and consequently electronic transport is dominated by the small hole and electron pockets. Our results are consistent with not only three-dimensional, but also with quasi-two-dimensional portions of the Fermi surface. The SOC-induced gap in Dirac states is much larger when compared to isostructural SrMnBi 2. This suggests that not only long-range magnetic order, but also mass of the alkaline-earth atoms A in ABX 2 ( A = alkaline-earth, B = transition-metal, and Xmore » = Bi/Sb) are important for the presence of low-energy states obeying the relativistic Dirac equation at the Fermi surface.« less

Absence of Dirac states in BaZnBi 2 induced by spin-orbit coupling

DOE PAGES

Ren, Weijun; Wang, Aifeng; Graf, D.; ...

2018-01-22

We report magnetotransport properties of BaZnBi 2 single crystals. Whereas electronic structure features Dirac states, such states are removed from the Fermi level by spin-orbit coupling (SOC) and consequently electronic transport is dominated by the small hole and electron pockets. Our results are consistent with not only three-dimensional, but also with quasi-two-dimensional portions of the Fermi surface. The SOC-induced gap in Dirac states is much larger when compared to isostructural SrMnBi 2. This suggests that not only long-range magnetic order, but also mass of the alkaline-earth atoms A in ABX 2 ( A = alkaline-earth, B = transition-metal, and Xmore » = Bi/Sb) are important for the presence of low-energy states obeying the relativistic Dirac equation at the Fermi surface.« less

Anomalous Quasiparticle Reflection from the Surface of a ^{3}He-^{4}He Dilute Solution.

PubMed

Ikegami, Hiroki; Kim, Kitak; Sato, Daisuke; Kono, Kimitoshi; Choi, Hyoungsoon; Monarkha, Yuriy P

2017-11-10

A free surface of a dilute ^{3}He-^{4}He liquid mixture is a unique system where two Fermi liquids with distinct dimensions coexist: a three-dimensional (3D) ^{3}He Fermi liquid in the bulk and a two-dimensional (2D) ^{3}He Fermi liquid at the surface. To investigate a novel effect generated by the interaction between the two Fermi liquids, the mobility of a Wigner crystal of electrons formed on the free surface of the mixture is studied. An anomalous enhancement of the mobility, compared with the case where the 3D and 2D systems do not interact with each other, is observed. The enhancement is explained by the nontrivial reflection of 3D quasiparticles from the surface covered with the 2D ^{3}He system.

Fermi surfaces and electronic topological transitions in metallic solid solutions

NASA Astrophysics Data System (ADS)

Bruno, E.; Ginatempo, B.; Guiliano, E. S.; Ruban, A. V.; Vekilov, Yu. Kh.

1994-12-01

Notwithstanding the substitutional disorder, the Fermi surface of metallic alloys can be measured and computed. We show that, from the theoretical point of view, it is defined as the locus of the peaks of the Bloch Spectral Function (BSF). Such Fermi surfaces, on varying the atomic concentrations, may undergo changes of their topology, known as Electronic Topological Transitions (ETT). Thus, for instance, pockets of electrons or holes may appear or disappear, necks may open or close. ETTs cause anomalous behaviours of thermodynamic, transport and elastic properties of metals and constitute a fascinating field in the study of Fermi liquid systems. Although ETTs could be studied on pure systems as a function of the thermodynamic variables, nevertheless such a study would often require extreme conditions, and would lead to experimental difficulties. On the other hand, it is possible to explore the variations of atomic concentration, i.e. the valence electron per atom ratio, in metallic solid solutions with a relative experimental ease. In this paper we review the theoretical techniques for the determination of Fermi surfaces in metallic solid solutions and discuss some examples of ETTs, namely LiMg, ZrNb, NbMo, MoRe, AgPd, CdMg, NiW and NiTi alloys, also in connection with experimental data as thermoelectric power, resistivity, elastic constants and electron-phonon coupling and with the determinations of the electron momentum distribution function from Compton scattering and positron annihilation experiments. We show that the ab initio calculations of the electronic structure for the quoted systems, together with a careful determination of the BSF, are able to predict quantitatively ETTs at those concentrations where physical quantities display anomalies, so confirming directly ETT theory. Although it is not the purpose of the present review to give a full account of electronic structure calculation schemes, however, we briefly discuss the ideas and the main physical approximations underlying theories of substitutional disorder in alloys. We shall pay some more attention to the Coherent Potential Approximation (CPA) in the Korringa-Kohn-Rostoker (KKR) multiple scattering framework and the Hohenberg and Kohn Density Functional Theory in the Local Density Approximation (LDA) for the exchange-correlation potential. The above choice is supported by the numerical versatility of the LDAKKRCPA theory, and, more important, by the a fortiori evidence that essentially equivalent results are obtained from different theoretical frameworks, provided the same basic physical approximations are used. Accordingly, when convenient, we present new LDAKKRCPA determinations of the Fermi surfaces, as for the ZrNbMoRe series.

Fermi level pinning at the Ge(001) surface—A case for non-standard explanation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wojtaszek, Mateusz; Zuzak, Rafal; Godlewski, Szymon

2015-11-14

To explore the origin of the Fermi level pinning in germanium, we investigate the Ge(001) and Ge(001):H surfaces. The absence of relevant surface states in the case of Ge(001):H should unpin the surface Fermi level. This is not observed. For samples with donors as majority dopants, the surface Fermi level appears close to the top of the valence band regardless of the surface structure. Surprisingly, for the passivated surface, it is located below the top of the valence band allowing scanning tunneling microscopy imaging within the band gap. We argue that the well known electronic mechanism behind band bending doesmore » not apply and a more complicated scenario involving ionic degrees of freedom is therefore necessary. Experimental techniques involve four point probe electric current measurements, scanning tunneling microscopy, and spectroscopy.« less

Nematic order on the surface of a three-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Lundgren, Rex; Yerzhakov, Hennadii; Maciejko, Joseph

2017-12-01

We study the spontaneous breaking of rotational symmetry in the helical surface state of three-dimensional topological insulators due to strong electron-electron interactions, focusing on time-reversal invariant nematic order. Owing to the strongly spin-orbit coupled nature of the surface state, the nematic order parameter is linear in the electron momentum and necessarily involves the electron spin, in contrast with spin-degenerate nematic Fermi liquids. For a chemical potential at the Dirac point (zero doping), we find a first-order phase transition at zero temperature between isotropic and nematic Dirac semimetals. This extends to a thermal phase transition that changes from first to second order at a finite-temperature tricritical point. At finite doping, we find a transition between isotropic and nematic helical Fermi liquids that is second order even at zero temperature. Focusing on finite doping, we discuss various observable consequences of nematic order, such as anisotropies in transport and the spin susceptibility, the partial breakdown of spin-momentum locking, collective modes and induced spin fluctuations, and non-Fermi-liquid behavior at the quantum critical point and in the nematic phase.

High surface conductivity of Fermi-arc electrons in Weyl semimetals

NASA Astrophysics Data System (ADS)

Resta, Giacomo; Pi, Shu-Ting; Wan, Xiangang; Savrasov, Sergey Y.

2018-02-01

Weyl semimetals (WSMs), a new type of topological condensed matter, are currently attracting great interest due to their unusual electronic states and intriguing transport properties such as chiral anomaly induced negative magnetoresistance, a semiquantized anomalous Hall effect, and the debated chiral magnetic effect. These systems are close cousins of topological insulators (TIs) which are known for their disorder-tolerant surface states. Similarly, WSMs exhibit unique topologically protected Fermi-arc surface states. Here, we analyze electron-phonon scattering, a primary source of resistivity in metals at finite temperatures, as a function of the shape of the Fermi arc where we find that the impact on surface transport is significantly dependent on the arc curvature and disappears in the limit of a straight arc. Next, we discuss the effect of strong surface disorder on the resistivity by numerically simulating a tight-binding model with the presence of quenched surface vacancies using the coherent potential approximation and Kubo-Greenwood formalism. We find that the limit of a straight arc geometry is remarkably disorder tolerant, producing surface conductivity that is one to two orders of magnitude larger than a comparable setup with surface states of TI. This is primarily attributed to a significantly different hybridization strength of the surface states with the remaining electrons in two systems. Finally, a simulation of the effects of surface vacancies on TaAs is presented, illustrating the disorder tolerance of the topological surface states in a recently discovered WSM material.

Trivial and topological Fermi arcs in the type-II Weyl semimetal candidate MoTe2

NASA Astrophysics Data System (ADS)

Tamai, Anna; Wu, Quansheng; Cucchi, Irene; Bruno, Flavio; Barreteau, Celine; Giannini, Enrico; Soluyanov, Alexey; Baumberger, Felix

Weyl semimetals are commonly identified by detecting their characteristic open surface state Fermi arcs in angle-resolved photoemission (ARPES) experiments. However, in type-II Weyl semimetals the Fermi arcs generally disappear in the bulk carrier pockets before reaching the Weyl points where they terminate - making it harder to unambiguously identify this new electronic state. Using laser-based ARPES, we have resolved multiple distinct Fermi arcs on the inequivalent top and bottom (001) surfaces of the candidate type-II Weyl semimetal MoTe2. By comparing our ARPES data with systematic electronic structure calculations simulating different Weyl point arrangements, we show that some of these arcs are false positives as they can be explained without Weyl points, while others are only reproduced in scenarios with at least eight Weyl points. Our results thus suggest that MoTe2 is the first experimental realisation of a type-II Weyl semimetal.

Trigonal warping induced unusual spin texture and strong spin polarization in graphene with the Rashba effect

NASA Astrophysics Data System (ADS)

Ma, Da-Shuai; Yu, Zhi-Ming; Pan, Hui; Yao, Yugui

2018-02-01

We study the electronic and scattering properties of graphene with moderate Rashba spin-orbit coupling (SOC). The Rashba SOC in graphene tends to distort the band structure and gives rise to a trigonally warped Fermi surface. For electrons at a pronouncedly warped Fermi surface, the spin direction exhibits a staircase profile as a function of the momentum, making an unusual spin texture. We also study the spin-resolved scattering on a Rashba barrier and find that the trigonal warping is essential for producing spin polarization of the transmitted current. Particularly, both the direction and strength of the spin polarization can be controlled by kinds of electric methods. Our work unveils that not only SOC but also the geometry of the Fermi surface is important for generating spin polarization.

Topological Nodal Cooper Pairing in Doped Weyl Metals

NASA Astrophysics Data System (ADS)

Li, Yi; Haldane, F. D. M.

2018-02-01

We generalize the concept of Berry connection of the single-electron band structure to that of a two-particle Cooper pairing state between two Fermi surfaces with opposite Chern numbers. Because of underlying Fermi surface topology, the pairing Berry phase acquires nontrivial monopole structure. Consequently, pairing gap functions have topologically protected nodal structure as vortices in the momentum space with the total vorticity solely determined by the pair monopole charge qp. The nodes of gap function behave as the Weyl-Majorana points of the Bogoliubov-de Gennes pairing Hamiltonian. Their relation with the connection patterns of the surface modes from the Weyl band structure and the Majorana surface modes inside the pairing gap is also discussed. Under the approximation of spherical Fermi surfaces, the pairing symmetry are represented by monopole harmonic functions. The lowest possible pairing channel carries angular momentum number j =|qp|, and the corresponding gap functions are holomorphic or antiholomorphic functions on Fermi surfaces. After projected on the Fermi surfaces with nontrivial topology, all the partial-wave channels of pairing interactions acquire the monopole charge qp independent of concrete pairing mechanism.

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Debehets, J.; Homm, P.; Menghini, M.

In this study, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH 4) 2S-solutions in an inert atmosphere (N 2-gas). Although the (NH 4) 2S-cleaning in N 2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH 4) 2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.« less

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

DOE PAGES

Debehets, J.; Homm, P.; Menghini, M.; ...

2018-01-12

In this study, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate analyzer and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-levels. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH 4) 2S-solutions in an inert atmosphere (N 2-gas). Although the (NH 4) 2S-cleaning in N 2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH 4) 2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs.« less

The electronic structures and work functions of (100) surface of typical binary and doped REB6 single crystals

NASA Astrophysics Data System (ADS)

Liu, Hongliang; Zhang, Xin; Xiao, Yixin; Zhang, Jiuxing

2018-03-01

The density function theory been used to calculate the electronic structures of binary and doped rare earth hexaborides (REB6), which exhibits the large density of states (DOS) near Fermi level. The d orbital elections of RE element contribute the electronic states of election emission near the Fermi level, which imply that the REB6 (RE = La, Ce, Gd) with wide distribution of high density d orbital electrons could provide a lower work function and excellent emission properties. Doping RE elements into binary REB6 can adjust DOS and the position of the Fermi energy level. The calculated work functions of considered REB6 (100) surface show that the REB6 (RE = La, Ce, Gd) have lower work function and doping RE elements with active d orbital electrons can significantly reduce work function of binary REB6. The thermionic emission test results are basically accordant with the calculated value, proving the first principles calculation could provide a good theoretical guidance for the study of electron emission properties of REB6.

Angular-dependent magnetoresistance study in Ca0.73La0.27FeAs2: a ‘parent’ compound of 112-type iron pnictide superconductors

NASA Astrophysics Data System (ADS)

Xing, Xiangzhuo; Xu, Chunqiang; Li, Zhanfeng; Feng, Jiajia; Zhou, Nan; Zhang, Yufeng; Sun, Yue; Zhou, Wei; Xu, Xiaofeng; Shi, Zhixiang

2018-01-01

We report a study of angular-dependent magnetoresistance (AMR) with the magnetic field rotated in the plane perpendicular to the current on a Ca0.73La0.27FeAs2 single crystal, which is regarded as a ‘parent’ compound of 112-type iron pnictide superconductors. A pronounced AMR with twofold symmetry is observed, signifying the highly anisotropic Fermi surface. By further analyzing the AMR data, we find that the Fermi surface above the structural/antiferromagnetic (AFM) transition (T s/T N) is quasi-two-dimensional (quasi-2D), as revealed by the 2D scaling behavior of the AMR, Δρ/ρ(0) (H, θ)  =  Δρ/ρ(0) (µ 0 Hcosθ), θ being the magnetic field angle with respect to the c axis. While such 2D scaling becomes invalid at temperatures below T s/T N, the three-dimensional (3D) scaling approach by inclusion of the anisotropy of the Fermi surface is efficient, indicating that the appearance of the 3D Fermi surface contributes to anisotropic electronic transport. Compared with other experimental observations, we suspect that the additional 3D hole pocket (generated by the Ca d orbital and As1 p z orbital) around the Γ point in CaFeAs2 will disappear in the heavily electron doped regime, and moreover, the Fermi surface should be reconstructed across the structural/AFM transition. Besides, a quasi-linear in-plane magnetoresistance with H//ab is observed at low temperatures and its possible origins are also discussed. Our results provide more information to further understand the electronic structure of 112-type IBSs.

Three-component fermions with surface Fermi arcs in tungsten carbide

NASA Astrophysics Data System (ADS)

Ma, J.-Z.; He, J.-B.; Xu, Y.-F.; Lv, B. Q.; Chen, D.; Zhu, W.-L.; Zhang, S.; Kong, L.-Y.; Gao, X.; Rong, L.-Y.; Huang, Y.-B.; Richard, P.; Xi, C.-Y.; Choi, E. S.; Shao, Y.; Wang, Y.-L.; Gao, H.-J.; Dai, X.; Fang, C.; Weng, H.-M.; Chen, G.-F.; Qian, T.; Ding, H.

2018-04-01

Topological Dirac and Weyl semimetals not only host quasiparticles analogous to the elementary fermionic particles in high-energy physics, but also have a non-trivial band topology manifested by gapless surface states, which induce exotic surface Fermi arcs1,2. Recent advances suggest new types of topological semimetal, in which spatial symmetries protect gapless electronic excitations without high-energy analogues3-11. Here, using angle-resolved photoemission spectroscopy, we observe triply degenerate nodal points near the Fermi level of tungsten carbide with space group P 6 ¯m 2 (no. 187), in which the low-energy quasiparticles are described as three-component fermions distinct from Dirac and Weyl fermions. We further observe topological surface states, whose constant-energy contours constitute pairs of `Fermi arcs' connecting to the surface projections of the triply degenerate nodal points, proving the non-trivial topology of the newly identified semimetal state.

Observation of two-dimensional Fermi surface and Dirac dispersion in the new material YbMnSb2

NASA Astrophysics Data System (ADS)

Kealhofer, Robert; Jang, Sooyoung; Griffin, Sinead; John, Caolan; Doyle, Spencer; Neaton, Jeffrey; Analytis, James G.; Denlinger, J. D.; Benavides, Katherine; Chan, Julia

We present the synthesis, crystal structure, electronic structure, and transport properties of the new material YbMnSb2. Our measurements reveal that this system is a low-carrier-density semimetal with a 2D Fermi surface arising from a 3D Dirac dispersion. This Fermi surface is consistent with the predictions of antiferromagnetic density functional theory calculations and the Fermi surface observed via angle-resolved photoemission spectroscopy. The quantitative agreement between these measurements and calculations indicates that YbMnSb2 may be a new topological semimetal in the presence of magnetic order. R. K. is supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1106400. C. J., J. G. A., and much of this work received support from the Gordon and Betty Moore Foundation Grant No. GBMF4374.

Observation of Fermi arcs in the type-II Weyl semimetal candidate WTe 2

DOE PAGES

Wu, Yun; Mou, Daixiang; Jo, Na Hyun; ...

2016-09-14

We use ultrahigh resolution, tunable, vacuum ultraviolet laser angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of WTe 2, a material that was predicted to be a type-II Weyl semimetal. The Weyl fermion states in WTe 2 were proposed to emerge at the crossing points of electron and hole pockets, and Fermi arcs connecting electron and hole pockets would be visible in the spectral function on (001) surface. Here we report the observation of such Fermi arcs in WTe 2 confirming the theoretical predictions. This provides strong evidence for type-II Weyl semimetallic states in WTe 2. Here, we alsomore » find that trivial and topological domains coexist on the same surface of the sample due to the presence of inhomogeneous strain detected by scanning electron microscopy data. This is in agreement with the theoretical prediction that strain can drive this system from topological Weyl to trivial semimetal. WTe 2 therefore provides a tunable playground for studying exotic topological quantum effects.« less

Observation of Fermi arcs in the type-II Weyl semimetal candidate WTe 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yun; Mou, Daixiang; Jo, Na Hyun

We use ultrahigh resolution, tunable, vacuum ultraviolet laser angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of WTe 2, a material that was predicted to be a type-II Weyl semimetal. The Weyl fermion states in WTe 2 were proposed to emerge at the crossing points of electron and hole pockets, and Fermi arcs connecting electron and hole pockets would be visible in the spectral function on (001) surface. Here we report the observation of such Fermi arcs in WTe 2 confirming the theoretical predictions. This provides strong evidence for type-II Weyl semimetallic states in WTe 2. Here, we alsomore » find that trivial and topological domains coexist on the same surface of the sample due to the presence of inhomogeneous strain detected by scanning electron microscopy data. This is in agreement with the theoretical prediction that strain can drive this system from topological Weyl to trivial semimetal. WTe 2 therefore provides a tunable playground for studying exotic topological quantum effects.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koryazhkina, M. N., E-mail: mahavenok@mail.ru; Tikhov, S. V.; Gorshkov, O. N.

It is shown that the formation of Au nanoparticles at the insulator–silicon interface in structures with a high density of surface states results in a shift of the Fermi-level pinning energy at this interface towards the valence-band ceiling in silicon and in increasing the surface-state density at energies close to the Fermi level. In this case, a band with a peak at 0.85 eV arises on the photosensivity curves of the capacitor photovoltage, which is explained by the photoemission of electrons from the formed Au-nanoparticle electron states near the valence-band ceiling in silicon.

Valley density-wave (VDW) and Superconductivity in Iron-Pnictides

NASA Astrophysics Data System (ADS)

Cvetkovic, Vladimir; Tesanovic, Zlatko

2009-03-01

One of the experimentally observed features of iron-pnictide superconductors is the structural transition and SDW ordering occurring at almost the same temperature. Starting from a tight-binding model [1], we construct an effective theory for iron-pnictides with the distinctive two hole and two electron Fermi surfaces. This theory is then mapped onto a negative-U Hubbard model with additional orbital and spin flavors [2]. We demonstrate that the superconducting instability of the attractive Hubbard model --- valley density-wave (VDW) --- corresponds to the observed structural and SDW orders. The deviations from perfect nesting between the hole and electron Fermi surfaces are mapped onto the Zeeman field which causes portions of Fermi surface to remain ungapped. The origin of pnictide superconductivity in this model, and its ties to the VDW are discussed. [1] V. Cvetkovic and Z. Tesanovic, http://arxiv.org/abs/0804.4678. [2] V. Cvetkovic and Z. Tesanovic, http://arxiv.org/abs/0808.3742.

High-resolution angle-resolved photoemission study of electronic structure and charge-density wave formation in HoTe3

NASA Astrophysics Data System (ADS)

Liu, Guodong; Wang, Chenlu; Zhang, Yan; Hu, Bingfeng; Mou, Daixiang; Yu, Li; Zhao, Lin; Zhou, Xingjiang; Wang, Nanlin; Chen, Chuangtian; Xu, Zuyan

We performed high-resolution angle-resolved photoemission spectroscopy (ARPES) measurement on high quality crystal of HoTe3, an intriguing quasi-two-dimensional rare-earth-element tritelluride charge-density-wave (CDW) compound. The main features of the electronic structure in this compound are established by employing a quasi-CW laser (7eV) and a helium discharging lamp (21.22 eV) as excitation light sources. It reveals many bands back folded according to the CDW periodicity and two incommensurate CDW gaps created by perpendicular Fermi surface (FS) nesting vectors. A large gap is found to open in well nested regions of the Fermi surface sheets, whereas other Fermi surface sections with poor nesting remain ungapped. In particular, some peculiar features are identified by using our ultra-high resolution and bulk sensitive laser-ARPES.

Quasiparticle interference of the Fermi arcs and surface-bulk connectivity of a Weyl semimetal.

PubMed

Inoue, Hiroyuki; Gyenis, András; Wang, Zhijun; Li, Jian; Oh, Seong Woo; Jiang, Shan; Ni, Ni; Bernevig, B Andrei; Yazdani, Ali

2016-03-11

Weyl semimetals host topologically protected surface states, with arced Fermi surface contours that are predicted to propagate through the bulk when their momentum matches that of the surface projections of the bulk's Weyl nodes. We used spectroscopic mapping with a scanning tunneling microscope to visualize quasiparticle scattering and interference at the surface of the Weyl semimetal TaAs. Our measurements reveal 10 different scattering wave vectors, which can be understood and precisely reproduced with a theory that takes into account the shape, spin texture, and momentum-dependent propagation of the Fermi arc surface states into the bulk. Our findings provide evidence that Weyl nodes act as sinks for electron transport on the surface of these materials. Copyright © 2016, American Association for the Advancement of Science.

Electrostatic interactions between ions near Thomas-Fermi substrates and the surface energy of ionic crystal at imperfect metals

PubMed Central

Kaiser, V.; Comtet, J.; Niguès, A.; Siria, A.; Coasne, B.; Bocquet, L.

2017-01-01

The electrostatic interaction between two charged particles is strongly modified in the vicinity of a metal. This situation is usually accounted for by the celebrated image charges approach, which was further extended to account for the electronic screening properties of the metal at the level of the Thomas-Fermi description. In this paper we build upon the approach by [Kornyshev et al. Zh. Eksp. Teor. Fiz., 78(3):1008–1019, 1980] and successive works to calculate the 1-body and 2-body electrostatic energy of ions near a metal in terms of the Thomas-Fermi screening length. We propose workable approximations suitable for molecular simulations of ionic systems close to metallic walls. Furthermore, we use this framework to calculate analytically the electrostatic contribution to the surface energy of a one dimensional crystal at a metallic wall and its dependence on the Thomas-Fermi screening length. These calculations provide a simple interpretation for the surface energy in terms of image charges, which allow for an estimate of interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. A counterintuitive outcome is that electronic screening, as characterized by a molecular Thomas-Fermi length ℓTF, profoundly affects the wetting of ionic systems close to a metal, in line with the recent experimental observation of capillary freezing of ionic liquids in metallic confinement. PMID:28436506

DOE Office of Scientific and Technical Information (OSTI.GOV)

Breznay, Nicholas P.; Hayes, Ian M.; Ramshaw, B. J.

In this work, we study magnetotransport properties of the electron-doped superconductor Pr 2-xCe xCuO 4±δ with x = 0.14 in magnetic fields up to 92 T, and observe Shubnikov-de Haas magnetic quantum oscillations. The oscillations display a single frequency F = 255 ± 10 T, indicating a small Fermi pocket that is ~1 % of the two-dimensional Brillouin zone and consistent with a Fermi surface reconstructed from the large holelike cylinder predicted for these layered materials. Despite the low nominal doping, all electronic properties including the effective mass and Hall effect are consistent with overdoped compounds. In conclusion, our studymore » demonstrates that the exceptional chemical control afforded by high quality thin films will enable Fermi surface studies deep into the overdoped cuprate phase diagram.« less

On the important role of the anti-Jahn-Teller effect in underdoped cuprate superconductors

NASA Astrophysics Data System (ADS)

Kamimura, Hiroshi; Matsuno, Shunichi; Mizokawa, Takashi; Sasaoka, Kenji; Shiraishi, Kenji; Ushio, Hideki

2013-04-01

In this paper it is shown that the "anti-Jahn-Teller effect" plays an essential role in giving rise to a small Fermi surface of Fermi pockets above Tc and d-wave superconductivity below Tc in underdoped cuprates. In the first part of the present paper, we review the latest developments of the model proposed by Kamimura and Suwa, which bears important characteristics born from the interplay of Jahn-Teller Physics and Mott Physics. It is shown that the feature of Fermi surfaces in underdoped LSCO is the Fermi pockets in the nodal region constructed by doped holes under the coexistence of a metallic state and of the local antiferromagnetic order. In the antinodal region in the momentum space, there are no Fermi surfaces. Then it is discussed that the phonon-involved mechanism based on the Kamimura-Suwa model leads to the d-wave superconductivity. In particular, it is shown that the origin of strong electron-phonon interactions in cuprates is due to the anti-Jahn-Teller effect. In the second part a recent theoretical result on the energy distribution curves (EDCs) of angle-resolved photoemission spectroscopy (ARPES) below Tc is discussed. It is shown that the feature of ARPES profiles of underdoped cuprates consists of a coherent peak in the nodal region and the real transitions of photoexcited electrons from occupied states below the Fermi level to a free-electron state above the vacuum level in the antinodal region, where the latter transitions form a broad hump. From this feature, the origin of the two distinct gaps observed by ARPES is elucidated without introducing the concept of the pseudogap. Finally, a remark is made on the phase diagram of underdoped cuprates.

Direct k-space mapping of the electronic structure in an oxide-oxide interface.

PubMed

Berner, G; Sing, M; Fujiwara, H; Yasui, A; Saitoh, Y; Yamasaki, A; Nishitani, Y; Sekiyama, A; Pavlenko, N; Kopp, T; Richter, C; Mannhart, J; Suga, S; Claessen, R

2013-06-14

The interface between LaAlO(3) and SrTiO(3) hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to local moments. Experimentally, it has been established that Ti 3d electrons are confined to the interface. Using soft x-ray angle-resolved resonant photoelectron spectroscopy we have directly mapped the interface states in k space. Our data demonstrate a charge dichotomy. A mobile fraction contributes to Fermi surface sheets, whereas a localized portion at higher binding energies is tentatively attributed to electrons trapped by O vacancies in the SrTiO(3). While photovoltage effects in the polar LaAlO(3) layers cannot be excluded, the apparent absence of surface-related Fermi surface sheets could also be fully reconciled in a recently proposed electronic reconstruction picture where the built-in potential in the LaAlO(3) is compensated by surface O vacancies serving also as a charge reservoir.

First-Order Antiferromagnetic Transition and Fermi Surfaces in Semimetal EuSn3

NASA Astrophysics Data System (ADS)

Mori, Akinobu; Miura, Yasunao; Tsutsumi, Hiroki; Mitamura, Katsuya; Hagiwara, Masayuki; Sugiyama, Kiyohiro; Hirose, Yusuke; Honda, Fuminori; Takeuchi, Tetsuya; Nakamura, Ai; Hiranaka, Yuichi; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika

2014-02-01

We grew high-quality single crystals of the antiferromagnet EuSn3 with the AuCu3-type cubic crystal structure by the Sn self-flux method and measured the electrical resistivity, magnetic susceptibility, high-field magnetization, specific heat, thermal expansion, and de Haas-van Alphen (dHvA) effect, in order to study the magnetic and Fermi surface properties. We observed steplike changes in the electrical resistivity and magnetic susceptibility, and a sharp peak of the specific heat and thermal expansion coefficient at a Néel temperature TN = 36.4 K. The first-order nature of the antiferromagnetic transition was ascertained by the observation of thermal hysteresis as well as of latent heat at TN. The present antiferromagnetic transition is found to be not a typical second-order phase transition but a first-order one. From the results of dHvA experiment, we clarified that the Fermi surface is very similar to that of the divalent compound YbSn3, mainly consisting of a nearly spherical hole Fermi surface and eight ellipsoidal electron Fermi surfaces. EuSn3 is possibly a compensated metal, and the occupation of a nearly spherical hole Fermi surface is 3.5% in its Brillouin zone, indicating that EuSn3 is a semimetal.

Theoretical calculation of electron-positron momentum density in YBa 2Cu 3O 7-δ

NASA Astrophysics Data System (ADS)

Massidda, S.

1990-07-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor YBa 2Cu 3O 7-δ for δ=0 and for the insulating parent compound YBa 2Cu 3O 6, based on first-principle electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our results indicate a small overlap of the positron wave function with the CuO 2 plane electrons and, as a consequence, relatively small signals due to the related Fermi surfaces. By contrast, the present calculations show, after the folding of Umklapp terms according to Lock, Crisp and West, clear Fermi surface breaks arising from the Cu-O chain bands. No general agreement with existing experiments allows a clear definition of Fermi surface structures in the latter. A comparison of the calculated momentum with the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) recently measured in Geneva shows an overall agreement for the insulating compound, despite the spurious LDA metallic state, and possibly suggests the importance of O vacancies in experiments performed on non-stoichiometric YBa 2Cu 3O 7-δ samples.

Discovery of Weyl Fermion Semimetals and Topological Fermi Arc States

NASA Astrophysics Data System (ADS)

Hasan, M. Zahid; Xu, Su-Yang; Belopolski, Ilya; Huang, Shin-Ming

2017-03-01

Weyl semimetals are conductors whose low-energy bulk excitations are Weyl fermions, whereas their surfaces possess metallic Fermi arc surface states. These Fermi arc surface states are protected by a topological invariant associated with the bulk electronic wave functions of the material. Recently, it has been shown that the TaAs and NbAs classes of materials harbor such a state of topological matter. We review the basic phenomena and experimental history of the discovery of the first Weyl semimetals, starting with the observation of topological Fermi arcs and Weyl nodes in TaAs and NbAs by angle and spin-resolved surface and bulk sensitive photoemission spectroscopy and continuing through magnetotransport measurements reporting the Adler-Bell-Jackiw chiral anomaly. We hope that this article provides a useful introduction to the theory of Weyl semimetals, a summary of recent experimental discoveries, and a guideline to future directions.

Unconventional Electron Pairing and Topological Superconductivity in Proximitized HgTe Quantum Wells

NASA Astrophysics Data System (ADS)

Ren, Hechen; Hart, Sean; Kosowsky, Michael; Ben-Shach, Gilad; Leubner, Philipp; Brüne, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; Halperin, Bertrand; Yacoby, Amir

Coupling s-wave superconductors to systems with exotic Fermi surface spin textures has been recently proposed as a way to manipulate the nature of the paired state, in some cases even leading to a topological phase transition. Recently, we studied the behavior of Fraunhofer interference in HgTe quantum well-based Josephson junctions, in the presence of a magnetic field applied in the plane of the quantum well. Here we theoretically analyze our system and compare the predicted behavior to our experimental results. We find that the in-plane magnetic field tunes the momentum of Cooper pairs in the quantum well, directly reflecting the response of the spin-dependent Fermi surfaces. This momentum tuning depends crucially on the type of spin-orbit coupling in the system. In the high electron density regime, the induced superconductivity evolves with electron density in agreement with our model based on the Hamiltonian of Bernevig, Hughes and Zhang. This agreement provides a quantitative value for g/vF, where g is the effective g-factor and vF is the Fermi velocity. Our new understanding of the interplay between spin physics and superconductivity introduces a way to spatially engineer the order parameter from singlet to triplet pairing, and in general allows investigation of electronic spin texture at the Fermi surface of materials. NSF DMR-1206016; STC Center for Integrated Quantum Materials under NSF Grant No. DMR-1231319; NSF GRFP under Grant DGE1144152, Microsoft Corporation Project Q.

Anomalous transport phenomena in Weyl metal beyond the Drude model for Landau's Fermi liquids.

PubMed

Kim, Ki-Seok; Kim, Heon-Jung; Sasaki, M; Wang, J-F; Li, L

2014-12-01

Landau's Fermi-liquid theory is the standard model for metals, characterized by the existence of electron quasiparticles near a Fermi surface as long as Landau's interaction parameters lie below critical values for instabilities. Recently this fundamental paradigm has been challenged by the physics of strong spin-orbit coupling, although the concept of electron quasiparticles remains valid near the Fermi surface, where Landau's Fermi-liquid theory fails to describe the electromagnetic properties of this novel metallic state, referred to as Weyl metal. A novel ingredient is that such a Fermi surface encloses a Weyl point with definite chirality, referred to as a chiral Fermi surface, which can arise from breaking of either time reversal or inversion symmetry in systems with strong spin-orbit coupling, responsible for both the Berry curvature and the chiral anomaly. As a result, electromagnetic properties of the Weyl metallic state are described not by conventional Maxwell equations but by axion electrodynamics, where Maxwell equations are modified with a topological-in-origin spatially modulated [Formula: see text] term. This novel metallic state was realized recently in Bi[Formula: see text]Sb x around [Formula: see text] under magnetic fields, where the Dirac spectrum appears around the critical point between the normal semiconducting ([Formula: see text]) and topological semiconducting phases ([Formula: see text]) and the time reversal symmetry breaking perturbation causes the Dirac point to split into a pair of Weyl points along the direction of the applied magnetic field for a very strong spin-orbit coupled system. In this review article, we discuss how the topological structure of both the Berry curvature and the chiral anomaly (axion electrodynamics) gives rise to anomalous transport phenomena in [Formula: see text]Sb x around [Formula: see text] under magnetic fields, thus modifying the Drude model of Landau's Fermi liquids.

Electronic structure and Fermi surface topology of WTe2 in a magnetic field

NASA Astrophysics Data System (ADS)

Krishna, Jyoti; Maitra, T.

2018-05-01

Two dimensional (2D) layered transition metal dichalcogenides (TMDs) have recently become the foremost candidate for future electronic device applications overcoming graphene as latter has no bandgap which limits some of the applications. WTe2 is one such TMD whose magnetoresistance (MR) continue to increase with magnetic field without any indication of saturation. Inspired by this, we have theoretically investigated the material using first principle density functional theory (DFT) approach to study the effect of magnetic field on electronic structure of the compound. The magnetic field is seen to enhance the hole pockets' size along Γ-Z direction, which brings in significant change in the Fermi surface topology.

Electronic structure of hydrogenated diamond: Microscopical insight into surface conductivity

NASA Astrophysics Data System (ADS)

Iacobucci, S.; Alippi, Paola; Calvani, P.; Girolami, M.; Offi, F.; Petaccia, L.; Trucchi, D. M.

2016-07-01

We have correlated the surface conductivity of hydrogen-terminated diamond to the electronic structure in the Fermi region. Significant density of electronic states (DOS) in proximity of the Fermi edge has been measured by photoelectron spectroscopy (PES) on surfaces exposed to air, corresponding to a p -type electric conductive regime, while upon annealing a depletion of the DOS has been achieved, resembling the diamond insulating state. The surface and subsurface electronic structure has been determined, exploiting the different probing depths of PES applied in a photon energy range between 7 and 31 eV. Ab initio density functional calculations including surface charge depletion and band-bending effects favorably compare with electronic states measured by angular-resolved photoelectron spectroscopy. Such states are organized in the energy-momentum space in a twofold structure: one, bulk-derived, band disperses in the Γ -X direction with an average hole effective mass of (0.43 ±0.02 ) m0 , where m0 is the bare electron mass; a second flatter band, with an effective mass of (2.2 ±0.9 ) m0 , proves that a hole gas confined in the topmost layers is responsible for the conductivity of the (2 ×1 ) hydrogen-terminated diamond (100 ) surface.

Fermi surface ridge at second and third Umklapp positron annihilations in Y Ba2Cu3O(7-delta)

NASA Astrophysics Data System (ADS)

Adam, G.; Adam, S.; Barbiellini, B.; Hoffmann, L.; Manuel, A. A.; Massidda, S.; Peter, M.

1993-06-01

Results of statistical noise smoothing of the electron momentum distribution obtained by two-dimensional angular correlation of the electron-positron annihilation radiation technique on untwinned YBa2Cu3O(7-delta) single crystals are reported. Two distinct signatures of the sheet of Fermi surface related to the CuO chains (the ridge) are resolved. The first occurs at second Umklapp processes, in agreement with previous evidence. The second one, identified for the first time, occurs at third Umklapp processes. Comparison with FLAPW calculations confirms this result.

Fermi surface ridge at second and third UMKLAPP positron annihilations in YBa 2Cu 3O 7- δ

NASA Astrophysics Data System (ADS)

Adam, Gh.; Adam, S.; Barbiellini, B.; Hoffmann, L.; Manuel, A. A.; Peter, M.; Massida, S.

1993-12-01

Results of statistical noise smoothing of the electron momentum distribution got by two-dimensional angular correlation of the electron-positron annihilation radiation technique on untwinned YBa 2Cu 3O 7- δ single crystals are reported. Two distinct signatures of the sheet of Fermi surface related to the CuO chains (the ridge) are resolved. The first occurs at second Umklapp processes, in agreement with previous evidence. The second one, identified for the first time, occurs at third Umklapp processes. Comparison with FLAPW calculations confirms this result.

The novel metallic states of the cuprates: Topological Fermi liquids and strange metals

NASA Astrophysics Data System (ADS)

Sachdev, Subir; Chowdhury, Debanjan

2016-12-01

We review ideas on the nature of the metallic states of the hole-doped cuprate high temperature superconductors, with an emphasis on the connections between the Luttinger theorem for the size of the Fermi surface, topological quantum field theories (TQFTs), and critical theories involving changes in the size of the Fermi surface. We begin with the derivation of the Luttinger theorem for a Fermi liquid, using momentum balance during a process of flux insertion in a lattice electronic model with toroidal boundary conditions. We then review the TQFT of the ℤ spin liquid, and demonstrate its compatibility with the toroidal momentum balance argument. This discussion leads naturally to a simple construction of "topological" Fermi liquid states: the fractionalized Fermi liquid (FL*) and the algebraic charge liquid (ACL). We present arguments for a description of the pseudogap metal of the cuprates using ℤ-FL* or ℤ-ACL states with Ising-nematic order. These pseudogap metal states are also described as Higgs phases of a SU(2) gauge theory. The Higgs field represents local antiferromagnetism, but the Higgs-condensed phase does not have long-range antiferromagnetic order: the magnitude of the Higgs field determines the pseudogap, the reconstruction of the Fermi surface, and the Ising-nematic order. Finally, we discuss the route to the large Fermi surface Fermi liquid via the critical point where the Higgs condensate and Ising nematic order vanish, and the application of Higgs criticality to the strange metal.

Thermodynamics of GaN(s)-NH3(v)+N2(v)+H2(v) system - Electronic aspects of the processes at GaN(0001) surface

NASA Astrophysics Data System (ADS)

Kempisty, Pawel; Strak, Pawel; Sakowski, Konrad; Krukowski, Stanislaw

2017-08-01

Comprehensive analysis of GaN(0001) surface in equilibrium with ammonia/hydrogen mixture was undertaken using results of ab initio calculations. Adsorption energies of the species derived from ammonia and molecular hydrogen and their stable sites were obtained. It was shown that the adsorption process type and energy depend on the position of Fermi level at the surface. Hydrogen decomposes into two separate H atoms, always adsorbed in the positions on top of the surface Ga atoms (On-top). Ammonia adsorption at GaN(0001) surface proceeds molecularly to ammonia in the On-top position or dissociatively into NH2 radicals in bridge (NH2-bridge) or On-top positions or into NH radicals in H3 (NH-H3) site. Presence of these species affects Fermi level pinning at the surface due to creation of new surface states. The Fermi level pinning in function of the surface attached species concentration was determined using extended electron counting rule (EECR). Results of ab initio calculations fully proved validity of the EECR predictions. Thermodynamic analysis of the surface in equilibrium with molecular hydrogen and ammonia vapor mixture is made giving the range of ammonia and hydrogen pressures, corresponding to Fermi level pinned at Ga-broken bond state for NH-H3&H and NH3&H and NH2-bridge&H coverage and at VBM for NH3 & H coverage. As the region of Fermi level pinned at Ga broken bond state corresponds to very low pressures, at pressures close to normal, GaN(0001) surface is almost totally covered by H, NH3 and NH2 located in On-top positions. It is also shown however that dominant portion of the hydrogen and ammonia pressures corresponds to Fermi level not pinned. Among them are these corresponding to MOVPE and HVPE growth conditions in which the surface is almost fully covered by NH3, NH2 and H species in On-top positions.

Separation of electron and hole dynamics in the semimetal LaSb

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, F.; Xu, J.; Botana, A. S.

We report investigations on the magnetotransport in LaSb, which exhibits extremely large magnetoresistance (XMR). Foremost, we demonstrate that the resistivity plateau can be explained without invoking topological protection. We then determine the Fermi surface from Shubnikov–de Haas (SdH) quantum oscillation measurements and find good agreement with the bulk Fermi pockets derived from first-principles calculations. Using a semiclassical theory and the experimentally determined Fermi pocket anisotropies, we quantitatively describe the orbital magnetoresistance, including its angle dependence.We show that the origin of XMR in LaSb lies in its high mobility with diminishing Hall effect, where the high mobility leads to a strongmore » magnetic-field dependence of the longitudinal magnetoconductance. Unlike a one-band material, when a system has two or more bands (Fermi pockets) with electron and hole carriers, the added conductance arising from the Hall effect is reduced, hence revealing the latent XMR enabled by the longitudinal magnetoconductance. With diminishing Hall effect, the magnetoresistivity is simply the inverse of the longitudinal magnetoconductivity, enabling the differentiation of the electron and hole contributions to the XMR, which varies with the strength and orientation of the magnetic field. This work demonstrates a convenient way to separate the dynamics of the charge carriers and to uncover the origin of XMR in multiband materials with anisotropic Fermi surfaces. Our approach can be readily applied to other XMR materials.« less

Electrostatic interactions between ions near Thomas-Fermi substrates and the surface energy of ionic crystals at imperfect metals.

PubMed

Kaiser, V; Comtet, J; Niguès, A; Siria, A; Coasne, B; Bocquet, L

2017-07-01

The electrostatic interaction between two charged particles is strongly modified in the vicinity of a metal. This situation is usually accounted for by the celebrated image charges approach, which was further extended to account for the electronic screening properties of the metal at the level of the Thomas-Fermi description. In this paper we build upon a previous approach [M. A. Vorotyntsev and A. A. Kornyshev, Zh. Eksp. Teor. Fiz., 1980, 78(3), 1008-1019] and successive works to calculate the 1-body and 2-body electrostatic energy of ions near a metal in terms of the Thomas-Fermi screening length. We propose workable approximations suitable for molecular simulations of ionic systems close to metallic walls. Furthermore, we use this framework to calculate analytically the electrostatic contribution to the surface energy of a one dimensional crystal at a metallic wall and its dependence on the Thomas-Fermi screening length. These calculations provide a simple interpretation for the surface energy in terms of image charges, which allows for an estimation of the interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. The counter-intuitive outcome is that electronic screening, as characterized by a molecular Thomas-Fermi length l TF , profoundly affects the wetting of ionic systems close to a metal, in line with the recent experimental observation of capillary freezing of ionic liquids in metallic confinement.

Relativistic Thomas-Fermi treatment of compressed atoms and compressed nuclear matter cores of stellar dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rotondo, M.; Rueda, Jorge A.; Xue, S.-S.

The Feynman-Metropolis-Teller treatment of compressed atoms is extended to the relativistic regimes. Each atomic configuration is confined by a Wigner-Seitz cell and is characterized by a positive electron Fermi energy. The nonrelativistic treatment assumes a pointlike nucleus and infinite values of the electron Fermi energy can be attained. In the relativistic treatment there exists a limiting configuration, reached when the Wigner-Seitz cell radius equals the radius of the nucleus, with a maximum value of the electron Fermi energy (E{sub e}{sup F}){sub max}, here expressed analytically in the ultrarelativistic approximation. The corrections given by the relativistic Thomas-Fermi-Dirac exchange term are alsomore » evaluated and shown to be generally small and negligible in the relativistic high-density regime. The dependence of the relativistic electron Fermi energies by compression for selected nuclei are compared and contrasted to the nonrelativistic ones and to the ones obtained in the uniform approximation. The relativistic Feynman-Metropolis-Teller approach here presented overcomes some difficulties in the Salpeter approximation generally adopted for compressed matter in physics and astrophysics. The treatment is then extrapolated to compressed nuclear matter cores of stellar dimensions with A{approx_equal}(m{sub Planck}/m{sub n}){sup 3}{approx}10{sup 57} or M{sub core}{approx}M{sub {circle_dot}}. A new family of equilibrium configurations exists for selected values of the electron Fermi energy varying in the range 0

Probing the Fermi surface and magnetotransport properties of MoAs2

NASA Astrophysics Data System (ADS)

Singha, Ratnadwip; Pariari, Arnab; Gupta, Gaurav Kumar; Das, Tanmoy; Mandal, Prabhat

2018-04-01

Transition-metal dipnictides (TMDs) have recently been identified as possible candidates to host a topology-protected electronic band structure. These materials belong to an isostructural family and show several exotic transport properties. Especially, the large values of magnetoresistance (MR) and carrier mobility have drawn significant attention from the perspective of technological applications. In this paper, we investigate the magnetotransport and Fermi surface properties of single-crystalline MoAs2, another member of this group of compounds. A field-induced resistivity plateau and a large MR have been observed, which are comparable to those in several topological systems. Interestingly, in contrast to other isostructural materials, the carrier density in MoAs2 is quite high and shows single-band-dominated transport. The Fermi pockets, which have been identified from the quantum oscillation, are the largest among the members of this group and have significant anisotropy with crystallographic direction. Our first-principles calculations reveal a substantial difference between the band structures of MoAs2 and that of other TMDs. The calculated Fermi surface consists of one electron pocket and another "open-orbit" hole pocket, which has not been observed in TMDs so far.

Fields in laser-ablated plasmas generalized to degenerate electrons and to Fermi energy in nuclei with change to quark-gluon plasma

NASA Astrophysics Data System (ADS)

Hora, Heinrich; Miley, George H.; Osman, Frederick; Hammerling, Peter X.

2004-09-01

The studies of laser ablation have lead to a new theory of nuclei, endothermic nuclei generation and quark-gluon plasmas. The surface of ablated plasma expanding into vacuum after high power laser irradiation of targets, contains an electric double layer having the thickness of the Debye length. This led to the discovery of surface tension of plasmas and to the internal dynamic electric fields in all inhomogeneous plasmas. The surface causes stabilization by short length surface waves smoothing the expanding plasma plume. Generalizing this to the degenerate electrons in a metal with the Fermi energy instead of the temperature, resulted in the surface tension of metals in agreement with measurements. Taking then the Fermi energy in the Debye length for nucleons results in a theory of nuclei with stable confinement of protons and neutrons just at the well known nuclear density, and in the Debye length equal to Hofstadter's decay of the nuclear surface. Increasing the nuclear density by a factor of 6 leads to the change of the Fermi energy into its relativistic branch where no surface energy is possible and the particle mass is not defined, permitting the quark-gluon plasma. Expansion of this higher density at the big band or in a supernova results in nucleation and element generation. The Boltzmann equilibrium permits the synthesis of nuclei even in the endothermic range limited to about uranium.

Pseudogap and electronic structure of electron-doped Sr2IrO4

NASA Astrophysics Data System (ADS)

Moutenet, Alice; Georges, Antoine; Ferrero, Michel

2018-04-01

We present a theoretical investigation of the effects of correlations on the electronic structure of the Mott insulator Sr2IrO4 upon electron doping. A rapid collapse of the Mott gap upon doping is found, and the electronic structure displays a strong momentum-space differentiation at low doping level: The Fermi surface consists of pockets centered around (π /2 ,π /2 ) , while a pseudogap opens near (π ,0 ) . Its physical origin is shown to be related to short-range spin correlations. The pseudogap closes upon increasing doping, but a differentiated regime characterized by a modulation of the spectral intensity along the Fermi surface persists to higher doping levels. These results, obtained within the cellular dynamical mean-field-theory framework, are discussed in comparison to recent photoemission experiments and an overall good agreement is found.

Analyse des proprietes electroniques de supraconducteurs a l'aide de la theorie de la fonctionnelle de la densite

NASA Astrophysics Data System (ADS)

Blackburn, Simon

In this thesis, the electronic structure of different kinds of superconductors is explored with the density functional theory. A brief explanation of this theory is done in the introduction. The Hubbard model is also presented as it can be used to solve shortcomings of the theory in some materials such as cuprates. The blend of the two theories is the DFT+U which is used to describe materials with strongly correlated electrons. Afterward, a paper describing the electron-phonon coupling in the superconductor NbC1- xNx is presented. Results from this work show the role of the Fermi surface in the electron pairing mechanism leading to superconductivity. Based on these results, a model is developed explaining how the critical temperature is influenced by the change in frequency of the vibration modes. Then, quantum oscillation results based on a detailed analysis of Fermi surfaces, allowing a direct comparison with experimental data, are presented within two papers. The first one is about a material in the iron pnictide family, the LaFe2P2. Our calculations show that the Fermi surface of this material is different from the superconducting doped BaFe2As2 which explains why this material shows no sign of superconductivity. The second paper is about the heavy fermion system YbCoIn5. To do this, a new efficient method to calculate de Haas-van Alphen frequencies is developed. Finally, a paper on superconducting YBa2Cu3O6.5 is presented. Using DFT+U, the role of various magnetic orders on the Fermi surface are studied. The results allow a better understanding of the measured quantum oscillations in this material.

Pseudogap and Fermi-Surface Topology in the Two-Dimensional Hubbard Model

NASA Astrophysics Data System (ADS)

Wu, Wei; Scheurer, Mathias S.; Chatterjee, Shubhayu; Sachdev, Subir; Georges, Antoine; Ferrero, Michel

2018-04-01

One of the distinctive features of hole-doped cuprate superconductors is the onset of a "pseudogap" below a temperature T* . Recent experiments suggest that there may be a connection between the existence of the pseudogap and the topology of the Fermi surface. Here, we address this issue by studying the two-dimensional Hubbard model with two distinct numerical methods. We find that the pseudogap only exists when the Fermi surface is holelike and that, for a broad range of parameters, its opening is concomitant with a Fermi-surface topology change from electronlike to holelike. We identify a common link between these observations: The polelike feature of the electronic self-energy associated with the formation of the pseudogap is found to also control the degree of particle-hole asymmetry, and hence the Fermi-surface topology transition. We interpret our results in the framework of an SU(2) gauge theory of fluctuating antiferromagnetism. We show that a mean-field treatment of this theory in a metallic state with U(1) topological order provides an explanation of this polelike feature and a good description of our numerical results. We discuss the relevance of our results to experiments on cuprates.

Interface electronic structures of reversible double-docking self-assembled monolayers on an Au(111) surface

PubMed Central

Zhang, Tian; Ma, Zhongyun; Wang, Linjun; Xi, Jinyang; Shuai, Zhigang

2014-01-01

Double-docking self-assembled monolayers (DDSAMs), namely self-assembled monolayers (SAMs) formed by molecules possessing two docking groups, provide great flexibility to tune the work function of metal electrodes and the tunnelling barrier between metal electrodes and the SAMs, and thus offer promising applications in both organic and molecular electronics. Based on the dispersion-corrected density functional theory (DFT) in comparison with conventional DFT, we carry out a systematic investigation on the dual configurations of a series of DDSAMs on an Au(111) surface. Through analysing the interface electronic structures, we obtain the relationship between single molecular properties and the SAM-induced work-function modification as well as the level alignment between the metal Fermi level and molecular frontier states. The two possible conformations of one type of DDSAM on a metal surface reveal a strong difference in the work-function modification and the electron/hole tunnelling barriers. Fermi-level pinning is found to be a key factor to understand the interface electronic properties. PMID:24615153

Electrostatic energy and screened charge interaction near the surface of metals with different Fermi surface shape

NASA Astrophysics Data System (ADS)

Gabovich, A. M.; Il'chenko, L. G.; Pashitskii, E. A.; Romanov, Yu. A.

1980-04-01

Using the Poisson equation Green function for a self-consistent field in a spatially inhomogeneous system, expressions for the electrostatic energy and screened charge interaction near the surface of a semi-infinite metal and a thin quantizing film are derived. It is shown that the decrease law and Friedel oscillation amplitude of adsorbed atom indirect interaction are determined by the electron spectrum character and the Fermi surface shape. The results obtained enable us to explain, in particular, the submonolayer adsorbed film structure on the W and Mo surfaces.

Spin–orbit coupling, minimal model and potential Cooper-pairing from repulsion in BiS2-superconductors

NASA Astrophysics Data System (ADS)

Cobo-Lopez, Sergio; Saeed Bahramy, Mohammad; Arita, Ryotaro; Akbari, Alireza; Eremin, Ilya

2018-04-01

We develop the realistic minimal electronic model for recently discovered BiS2 superconductors including the spin–orbit (SO) coupling based on the first-principles band structure calculations. Due to strong SO coupling, characteristic for the Bi-based systems, the tight-binding low-energy model necessarily includes p x , p y , and p z orbitals. We analyze a potential Cooper-pairing instability from purely repulsive interaction for the moderate electronic correlations using the so-called leading angular harmonics approximation. For small and intermediate doping concentrations we find the dominant instabilities to be {d}{x2-{y}2}-wave, and s ±-wave symmetries, respectively. At the same time, in the absence of the sizable spin fluctuations the intra and interband Coulomb repulsions are of the same strength, which yield the strongly anisotropic behavior of the superconducting gaps on the Fermi surface. This agrees with recent angle resolved photoemission spectroscopy findings. In addition, we find that the Fermi surface topology for BiS2 layered systems at large electron doping can resemble the doped iron-based pnictide superconductors with electron and hole Fermi surfaces maintaining sufficient nesting between them. This could provide further boost to increase T c in these systems.

Self-energy behavior away from the Fermi surface in doped Mott insulators.

PubMed

Merino, J; Gunnarsson, O; Kotliar, G

2016-02-03

We analyze self-energies of electrons away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole doping, the magnitude of the self-energy for imaginary frequencies at the top of the band ([Formula: see text]) is enhanced with respect to the self-energy magnitude at the bottom of the band ([Formula: see text]). The self-energy behavior at these two [Formula: see text]-points is switched for electron doping. Although the hybridization is much larger for (0, 0) than for [Formula: see text], we demonstrate that this is not the origin of this difference. Isolated clusters under a downward shift of the chemical potential, [Formula: see text], at half-filling reproduce the overall self-energy behavior at (0, 0) and [Formula: see text] found in low hole doped embedded clusters. This happens although there is no change in the electronic structure of the isolated clusters. Our analysis shows that a downward shift of the chemical potential which weakly hole dopes the Mott insulator can lead to a large enhancement of the [Formula: see text] self-energy for imaginary frequencies which is not associated with electronic correlation effects, even in embedded clusters. Interpretations of the strength of electronic correlations based on self-energies for imaginary frequencies are, in general, misleading for states away from the Fermi surface.

Decreasing the Hydroxylation Affinity of La 1–x Sr x MnO 3 Perovskites To Promote Oxygen Reduction Electrocatalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoerzinger, Kelsey A.; Hong, Wesley T.; Wang, Xiao Renshaw

Understanding the interaction between oxides and water is critical to design many of their functionalities, including the electrocatalysis of molecular oxygen reduction. In this study, we probed the hydroxylation of model (001)-oriented La(1-x)SrxMnO3 (LSMO) perovskite surfaces, where the electronic structure and manganese valence was controlled by five substitution levels of lanthanum with strontium, using ambient pressure X-ray photoelectron spectroscopy in a humid environment. The degree of hydroxyl formation on the oxide surface correlated with the proximity of the valence band center relative to the Fermi level. LSMO perovskites with a valence band center closer to the Fermi level were moremore » reactive toward water, forming more hydroxyl species at a given relative humidity. More hydroxyl species correlate with greater electron-donating character to the surface free energy in wetting, and reduce the activity to catalyze oxygen reduction reaction (ORR) kinetics in basic solution. New strategies to design more active catalysts should include design of electronically conducting oxides with lower valence band centers relative to the Fermi level at ORR-relevant potentials.« less

Positron-annihilation study of the electronic structure of URu2Si2

NASA Astrophysics Data System (ADS)

Rozing, G. J.; Mijnarends, P. E.; Menovsky, A. A.; de Chtel, P. F.

1991-04-01

Measurements of the two-dimensional angular correlation of annihilation radiation (2D-ACAR) were performed on oriented single crystals of URu2Si2. The spectra, obtained with integration along four different symmetry directions, display anisotropic structure in fair agreement with a previous calculation of the two-photon momentum distribution. In particular, the contribution of the f-ligand hybridized electron states is clearly observed and reasonably well described by the band calculation. The 2D-ACAR distribution remains unchanged as the temperature is increased from 6 K in the Fermi-liquid state to 72 K, which is just above the coherence temperature. The inhomogeneity of the positron density in the unit cell complicates the Lock-Crisp-West (LCW) analysis of the experiments in terms of Fermi-surface features. Nevertheless, the disagreement between theory and experiment after LCW folding indicates that the Fermi surface as predicted by local-density-approximation band theory does not apply.

Quantum oscillations in nodal line systems

NASA Astrophysics Data System (ADS)

Yang, Hui; Moessner, Roderich; Lim, Lih-King

2018-04-01

We study signatures of magnetic quantum oscillations in three-dimensional nodal line semimetals at zero temperature. The extended nature of the degenerate bands can result in a Fermi surface geometry with topological genus one, as well as a Fermi surface of electron and hole pockets encapsulating the nodal line. Moreover, the underlying two-band model to describe a nodal line is not unique, in that there are two classes of Hamiltonian with distinct band topology giving rise to the same Fermi-surface geometry. After identifying the extremal cyclotron orbits in various magnetic field directions, we study their concomitant Landau levels and resulting quantum oscillation signatures. By Landau-fan-diagram analyses, we extract the nontrivial π Berry phase signature for extremal orbits linking the nodal line.

Electronic structure Fermi liquid theory of high Tc superconductors: Comparison of predictions with experiments

NASA Technical Reports Server (NTRS)

Yu, Jaejun; Freeman, A. J.

1991-01-01

Predictions of local density functional (LDF) calculations of the electronic structure and transport properties of high T(sub c) superconductors are presented. As evidenced by the excellent agreement with both photoemission and positron annihilation experiments, a Fermi liquid nature of the 'normal' state of the high T(sub c) superconductors become clear for the metallic phase of these oxides. In addition, LDF predictions on the normal state transport properties are qualitatively in agreement with experiments on single crystals. It is emphasized that the signs of the Hall coefficients for the high T(sub c) superconductors are not consistent with the types of dopants (e.g., electron-doped or hole-doped) but are determined by the topology of the Fermi surfaces obtained from the LDF calculations.

Quantum oscillations in the type-II Dirac semi-metal candidate PtSe2

NASA Astrophysics Data System (ADS)

Yang, Hao; Schmidt, Marcus; Süss, Vicky; Chan, Mun; Balakirev, Fedor F.; McDonald, Ross D.; Parkin, Stuart S. P.; Felser, Claudia; Yan, Binghai; Moll, Philip J. W.

2018-04-01

Three-dimensional topological semi-metals carry quasiparticle states that mimic massless relativistic Dirac fermions, elusive particles that have never been observed in nature. As they appear in the solid body, they are not bound to the usual symmetries of space-time and thus new types of fermionic excitations that explicitly violate Lorentz-invariance have been proposed, the so-called type-II Dirac fermions. We investigate the electronic spectrum of the transition-metal dichalcogenide PtSe2 by means of quantum oscillation measurements in fields up to 65 T. The observed Fermi surfaces agree well with the expectations from band structure calculations, that recently predicted a type-II Dirac node to occur in this material. A hole- and an electron-like Fermi surface dominate the semi-metal at the Fermi level. The quasiparticle mass is significantly enhanced over the bare band mass value, likely by phonon renormalization. Our work is consistent with the existence of type-II Dirac nodes in PtSe2, yet the Dirac node is too far below the Fermi level to support free Dirac–fermion excitations.

Breakdown of the Migdal approximation at Lifshitz transitions with giant zero-point motion in the H3S superconductor.

PubMed

Jarlborg, Thomas; Bianconi, Antonio

2016-04-20

While 203 K high temperature superconductivity in H3S has been interpreted by BCS theory in the dirty limit here we focus on the effects of hydrogen zero-point-motion and the multiband electronic structure relevant for multigap superconductivity near Lifshitz transitions. We describe how the topology of the Fermi surfaces evolves with pressure giving different Lifshitz-transitions. A neck-disrupting Lifshitz-transition (type 2) occurs where the van Hove singularity, vHs, crosses the chemical potential at 210 GPa and new small 2D Fermi surface portions appear with slow Fermi velocity where the Migdal-approximation becomes questionable. We show that the neglected hydrogen zero-point motion ZPM, plays a key role at Lifshitz transitions. It induces an energy shift of about 600 meV of the vHs. The other Lifshitz-transition (of type 1) for the appearing of a new Fermi surface occurs at 130 GPa where new Fermi surfaces appear at the Γ point of the Brillouin zone here the Migdal-approximation breaks down and the zero-point-motion induces large fluctuations. The maximum Tc = 203 K occurs at 160 GPa where EF/ω0 = 1 in the small Fermi surface pocket at Γ. A Feshbach-like resonance between a possible BEC-BCS condensate at Γ and the BCS condensate in different k-space spots is proposed.

Electronic structure reconstruction across the antiferromagnetic transition in TaFe₁̣₂₃Te₃ spin ladder

DOE PAGES

Xu, Min; Wang, Li -Min; Peng, Rui; ...

2015-02-01

With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe₁̣₂₃Te₃, a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is observed, with sizable inter-ladder hopping. Moreover, instead of observing an energy gap at the Fermi surface in the antiferromagnetic state, we observed the shifts of various bands. Combining these observations with density-functional-theory calculations, we propose that the large scale reconstruction of the electronic structure, caused by the interactions between coexisting itinerant electrons and local moments, is most likely the driving force of the magnetic transition. Thus TaFe₁̣₂₃Te₃ serves as a simpler platform that containsmore » similar ingredients as the parent compounds of iron-based superconductors.« less

Hydrodynamic flows of non-Fermi liquids: Magnetotransport and bilayer drag

NASA Astrophysics Data System (ADS)

Patel, Aavishkar A.; Davison, Richard A.; Levchenko, Alex

2017-11-01

We consider a hydrodynamic description of transport for generic two-dimensional electron systems that lack Galilean invariance and do not fall into the category of Fermi liquids. We study magnetoresistance and show that it is governed only by the electronic viscosity provided that the wavelength of the underlying disorder potential is large compared to the microscopic equilibration length. We also derive the Coulomb drag transresistance for double-layer non-Fermi-liquid systems in the hydrodynamic regime. As an example, we consider frictional drag between two quantum Hall states with half-filled lowest Landau levels, each described by a Fermi surface of composite fermions coupled to a U (1 ) gauge field. We contrast our results to prior calculations of drag of Chern-Simons composite particles and place our findings in the context of available experimental data.

Magnetoresistance of a nanostep junction based on topological insulators

NASA Astrophysics Data System (ADS)

Hu, Wei; Hong, Jin-Bin; Zhai, Feng

2018-06-01

We investigate ballistic transport of helical electrons in a three-dimensional topological insulator traversing a nanostep junction. We find that a magnetic field perpendicular to its side surface shrinks the phase space for transmission, leading to magnetoresistance for the Fermi energy close to the Dirac point of the top surface. We also find transmission resonances and suppression of the Fano factor due to Landau-level-related quasibound states. The transmission blockade in the off-resonance case can result in a huge magnetoresistance for Fermi energy higher than the Dirac point of the side surface.

Evolution of Fermi Surface Properties in CexLa1-xB6 and PrxLa1-xB6

NASA Astrophysics Data System (ADS)

Endo, Motoki; Nakamura, Shintaro; Isshiki, Toshiyuki; Kimura, Noriaki; Nojima, Tsutomu; Aoki, Haruyoshi; Harima, Hisatomo; Kunii, Satoru

2006-11-01

We report the de Haas-van Alphen (dHvA) effect measurements of the Fermi surface properties in LaB6, CexLa1-xB6 (x = 0.1, 0.25, 0.5, 0.75, 1.0) and PrxLa1-xB6 (x = 0.25, 0.5, 0.75, 1.0) with particular attention to the spin dependence of the Fermi surface properties. The Fermi surface shape and dimension of CexLa1-xB6 change considerably with Ce concentration, while those of PrxLa1-xB6 change very slightly up to x = 0.75, and in PrB6 the Fermi surface splits into the up and down spin Fermi surfaces. The effective mass of CexLa1-xB6 increases considerably with Ce concentration and is nearly proportional to the number of Ce ions, whereas that of PrxLa1-xB6 increases slightly with Pr concentration. In CexLa1-xB6 the effective mass depends very strongly on field and increases divergently with decreasing field, while that of PrxLa1-xB6 increases slightly with decreasing field. The contribution to the dHvA signal from the conduction electrons of one spin direction diminishes with Ce concentration and appears to disappear somewhere around x = 0.25--0.5. A weak spin dependence is also found in PrxLa1-xB6. The behaviors of CexLa1-xB6 and PrxLa1-xB6 are compared to discuss the origin of the spin dependence of the Fermi surface properties.

Quasiparticle interference of Fermi arc states in the type-II Weyl semimetal candidate WT e2

NASA Astrophysics Data System (ADS)

Yuan, Yuan; Yang, Xing; Peng, Lang; Wang, Zhi-Jun; Li, Jian; Yi, Chang-Jiang; Xian, Jing-Jing; Shi, You-Guo; Fu, Ying-Shuang

2018-04-01

Weyl semimetals possess linear dispersions through pairs of Weyl nodes in three-dimensional momentum spaces, whose hallmark arclike surface states are connected to Weyl nodes with different chirality. WT e2 was recently predicted to be a new type of Weyl semimetal. Here, we study the quasiparticle interference (QPI) of its Fermi arc surface states by combined spectroscopic-imaging scanning tunneling spectroscopy and density functional theory calculations. We observed the electron scattering on two types of WT e2 surfaces unambiguously. Its scattering signal can be ascribed mainly to trivial surface states. We also address the QPI feature of nontrivial surface states from theoretical calculations. The experimental QPI patterns show some features that are likely related to the nontrivial Fermi arc states, whose existence is, however, not conclusive. Our study provides an indispensable clue for studying the Weyl semimetal phase in WT e2 .

Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes

DOE PAGES

Liu, Yuanyue; Xiao, Hai; Goddard, III, William A.

2016-11-22

Two-dimensional (2D) metal carbides and nitrides, called MXenes, have attracted great interest for applications such as energy storage. Here we demonstrate their potential as Schottky-barrier-free metal contacts to 2D semiconductors, providing a solution to the contact-resistance problem in 2D electronics. Based on first principles calculations, we find that the surface chemistry strongly affects the Fermi level of MXenes: O termination always increases the work function with respect to that of bare surface, OH always decreases it, while F exhibits either trend depending on the specific material. This phenomenon originates from the effect of surface dipoles, which together with the weakmore » Fermi level pinning, enable Schottky-barrier-free hole (or electron) injection into 2D semiconductors through van der Waals junctions with some of the O-terminated (or all the OH-terminated) MXenes. Furthermore, we suggest synthetic routes to control the surface terminations based on the calculated formation energies. Finally, this study enhances the understanding of the correlation between surface chemistry and electronic/transport properties of 2D materials, and also gives practical predictions for improving 2D electronics.« less

Reply to “Comment on ‘Magnetotransport signatures of a single nodal electron pocket constructed from Fermi arcs' ”

DOE PAGES

Harrison, N.; Sebastian, S. E.

2017-10-12

In this paper, we provide arguments relating to those recently made in a comment by Chakravarty and Wang, who question the validity of our proposed charge-density wave Fermi surface reconstruction model and its relation to sign changes in the Hall effect. First, we show that the form of rounding of the vertices (i.e. sharp corners) of the reconstructed electron pocket, as used in our model calculations of the Hall coefficient, is consistent with Bragg reflection from the periodic potential of a charge-density wave, rather than being arbitrarily chosen. Second, we provide further justifications for why an oscillatory transport scattering timemore » provides a useful means for modeling Shubnikov–de Haas oscillations in the Hall effect, in the situation where a Fermi surface pocket departs from the ideal circular form. Third and finally, we discuss recent experimental evidence gathered from two different families of underdoped cuprates supporting the existence of a single electron pocket produced by biaxial charge-density wave order as a universal phenomena.« less

Adsorption of ammonia at GaN(0001) surface in the mixed ammonia/hydrogen ambient - a summary of ab initio data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kempisty, Paweł; Krukowski, Stanisław; Interdisciplinary Centre for Materials Modelling, Warsaw University, Pawińskiego 5a, 02-106 Warsaw

Adsorption of ammonia at NH{sub 3}/NH{sub 2}/H-covered GaN(0001) surface was analyzed using results of ab initio calculations. The whole configuration space of partially NH{sub 3}/NH{sub 2}/H-covered GaN(0001) surface was divided into zones of differently pinned Fermi level: at the Ga broken bond state for dominantly bare surface (region I), at the valence band maximum (VBM) for NH{sub 2} and H-covered surface (region II), and at the conduction band minimum (CBM) for NH{sub 3}-covered surface (region III). The electron counting rule (ECR) extension was formulated for the case of adsorbed molecules. The extensive ab intio calculations show the validity of themore » ECR in case of all mixed H-NH{sub 2}-NH{sub 3} coverages for the determination of the borders between the three regions. The adsorption was analyzed using the recently identified dependence of the adsorption energy on the charge transfer at the surface. For region I ammonia adsorbs dissociatively, disintegrating into a H adatom and a HN{sub 2} radical for a large fraction of vacant sites, while for region II adsorption of ammonia is molecular. The dissociative adsorption energy strongly depends on the Fermi level at the surface (pinned) and in the bulk (unpinned) while the molecular adsorption energy is determined by bonding to surface only, in accordance to the recently published theory. Adsorption of Ammonia in region III (Fermi level pinned at CBM) leads to an unstable configuration both molecular and dissociative, which is explained by the fact that broken Ga-bonds are doubly occupied by electrons. The adsorbing ammonia brings 8 electrons to the surface, necessitating the transfer of these two electrons from the Ga broken bond state to the Fermi level. This is an energetically costly process. Adsorption of ammonia at H-covered site leads to the creation of a NH{sub 2} radical at the surface and escape of H{sub 2} molecule. The process energy is close to 0.12 eV, thus not large, but the direct inverse process is not possible due to the escape of the hydrogen molecule.« less

Measurement of the Atomic Orbital Composition of the Near-Fermi-Level Electronic States in the Lanthanum Monopnictides LaBi and LaSb

NASA Astrophysics Data System (ADS)

Nummy, Thomas; Waugh, Justin; Parham, Stephen; Li, Haoxiang; Zhou, Xiaoqing; Plumb, Nick; Tafti, Fazel; Dessau, Daniel

Angle resolved photoemission spectroscopy (ARPES) is used to measure the electronic structure of the Extreme Magnetoresistance (XMR) topological semimetal candidates LaBi and LaSb. Using a wide range of photon energies the true bulk states are cleanly disentangled from the various types of surface states, which may exist due to surface projections of bulk states as well as for topological reasons. The orbital content of the near-EF states are extracted using varying photon polarizations. The measured bulk bands are somewhat lighter and are energy shifted compared to the results of Density Functional calculations, which is a minor effect in LaBi and a more serious effect in LaSb. This bulk band structure puts LaBi in the v = 1 class of Topological Insulators (or semimetals), consistent with the measured Dirac-like surface states. LaSb on the other hand is at the verge of a topological band inversion, with a less-clear case for any distinctly topological surface states. The low-dimensional cigar-shaped bulk Fermi surfaces for both compounds are separated out by orbital content, with a crossover from pnictide d orbitals to La p orbitals around the Fermi surface, which through strong spin-orbit coupling may be relevant for the Extreme Magnetoresistance. NSF GRFP.

Fragile charge order in the nonsuperconducting ground state of the underdoped high-temperature superconductors.

PubMed

Tan, B S; Harrison, N; Zhu, Z; Balakirev, F; Ramshaw, B J; Srivastava, A; Sabok-Sayr, S A; Sabok, S A; Dabrowski, B; Lonzarich, G G; Sebastian, Suchitra E

2015-08-04

The normal state in the hole underdoped copper oxide superconductors has proven to be a source of mystery for decades. The measurement of a small Fermi surface by quantum oscillations on suppression of superconductivity by high applied magnetic fields, together with complementary spectroscopic measurements in the hole underdoped copper oxide superconductors, point to a nodal electron pocket from charge order in YBa2Cu3(6+δ). Here, we report quantum oscillation measurements in the closely related stoichiometric material YBa2Cu4O8, which reveals similar Fermi surface properties to YBa2Cu3(6+δ), despite the nonobservation of charge order signatures in the same spectroscopic techniques, such as X-ray diffraction, that revealed signatures of charge order in YBa2Cu3(6+δ). Fermi surface reconstruction in YBa2Cu4O8 is suggested to occur from magnetic field enhancement of charge order that is rendered fragile in zero magnetic fields because of its potential unconventional nature and/or its occurrence as a subsidiary to more robust underlying electronic correlations.

Fermi-level tuning of the Dirac surface state in (Bi1-x Sb x )2Se3 thin films

NASA Astrophysics Data System (ADS)

Satake, Yosuke; Shiogai, Junichi; Takane, Daichi; Yamada, Keiko; Fujiwara, Kohei; Souma, Seigo; Sato, Takafumi; Takahashi, Takashi; Tsukazaki, Atsushi

2018-02-01

We report on the electronic states and the transport properties of three-dimensional topological insulator (Bi1-x Sb x )2Se3 ternary alloy thin films grown on an isostructural Bi2Se3 buffer layer on InP substrates. By angle-resolved photoemission spectroscopy, we clearly detected Dirac surface states with a large bulk band gap of 0.2-0.3 eV in the (Bi1-x Sb x )2Se3 film with x  =  0.70. In addition, we observed by Hall effect measurements that the dominant charge carrier converts from electron (n-type) to hole (p-type) at around x  =  0.7, indicating that the Fermi level can be controlled across the Dirac point. Indeed, the carrier transport was shown to be governed by Dirac surface state in 0.63  ⩽  x  ⩽  0.75. These features suggest that Fermi-level tunable (Bi1-x Sb x )2Se3-based heterostructures provide a platform for extracting exotic topological phenomena.

Electron-positron momentum density in Tl 2Ba 2CuO 6

NASA Astrophysics Data System (ADS)

Barbiellini, B.; Gauthier, M.; Hoffmann, L.; Jarlborg, T.; Manuel, A. A.; Massidda, S.; Peter, M.; Triscone, G.

1994-08-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor Tl 2Ba 2CuO 6, together with some preliminary two-dimensional angular correlation of the annihilation radiation (2D-ACAR) measurements. The calculations are based on the first-principles electronic structure obtained using the full-potential linearized augmented plane wave (FLAPW) and the linear muffin-tin orbital (LMTO) methods. We also use a linear combination of the atomic orbitals-molecular orbital method (LCAO-MO) to discuss orbital contributions to the anisotropies. Some agreement between calculated and measured 2D-ACAR anisotropies encourage sample improvement for further Fermi surface investigations. Indeed, our results indicate a non-negligle overlap of the positron wave function with the CuOo 2 plane electrons. Therefore, this compound may be well suited for investigating the relevant CuO 2 Fermi surface by 2D-ACAR.

Electronic properties of two inequivalent surfaces in MoTe2 studied by quasi-particle interference

NASA Astrophysics Data System (ADS)

Iaia, Davide; Shichao, Yan; Madhavan, Vidya

MoTe2 has received renewed interest due to its topological properties. At a temperature below 250 K, MoTe2 is a type II Weyl semimetal hosting three-dimensional (3D) linearly dispersing states with well defined chirality. Nodes in this 3D dispersion are called Weyl points. Weyl points of opposite chirality are expected to be connected by topologically protected Fermi arcs. In this talk we discuss low temperature scanning tunneling microscopy studies of the electronic structure of MoTe2. The electronic properties are studied using quasi-particle interference technique which allows us to resolve Fermi arcs features and to clearly distinguish between two inequivalent MoTe2 surfaces. Our results provide important contributions to further our understanding of the electronic properties of this new and exotic class of materials. National Science Foundation (NSF).

Gyrotropic Magnetic Effect and the Magnetic Moment on the Fermi Surface.

PubMed

Zhong, Shudan; Moore, Joel E; Souza, Ivo

2016-02-19

The current density j^{B} induced in a clean metal by a slowly-varying magnetic field B is formulated as the low-frequency limit of natural optical activity, or natural gyrotropy. Working with a multiband Pauli Hamiltonian, we obtain from the Kubo formula a simple expression for α_{ij}^{GME}=j_{i}^{B}/B_{j} in terms of the intrinsic magnetic moment (orbital plus spin) of the Bloch electrons on the Fermi surface. An alternate semiclassical derivation provides an intuitive picture of the effect, and takes into account the influence of scattering processes in dirty metals. This "gyrotropic magnetic effect" is fundamentally different from the chiral magnetic effect driven by the chiral anomaly and governed by the Berry curvature on the Fermi surface, and the two effects are compared for a minimal model of a Weyl semimetal. Like the Berry curvature, the intrinsic magnetic moment should be regarded as a basic ingredient in the Fermi-liquid description of transport in broken-symmetry metals.

Gyrotropic Magnetic Effect and the Magnetic Moment on the Fermi Surface

NASA Astrophysics Data System (ADS)

Zhong, Shudan; Moore, Joel E.; Souza, Ivo

2016-02-01

The current density jB induced in a clean metal by a slowly-varying magnetic field B is formulated as the low-frequency limit of natural optical activity, or natural gyrotropy. Working with a multiband Pauli Hamiltonian, we obtain from the Kubo formula a simple expression for αij GME=jiB/Bj in terms of the intrinsic magnetic moment (orbital plus spin) of the Bloch electrons on the Fermi surface. An alternate semiclassical derivation provides an intuitive picture of the effect, and takes into account the influence of scattering processes in dirty metals. This "gyrotropic magnetic effect" is fundamentally different from the chiral magnetic effect driven by the chiral anomaly and governed by the Berry curvature on the Fermi surface, and the two effects are compared for a minimal model of a Weyl semimetal. Like the Berry curvature, the intrinsic magnetic moment should be regarded as a basic ingredient in the Fermi-liquid description of transport in broken-symmetry metals.

Depletion region surface effects in electron beam induced current measurements.

PubMed

Haney, Paul M; Yoon, Heayoung P; Gaury, Benoit; Zhitenev, Nikolai B

2016-09-07

Electron beam induced current (EBIC) is a powerful characterization technique which offers the high spatial resolution needed to study polycrystalline solar cells. Current models of EBIC assume that excitations in the p - n junction depletion region result in perfect charge collection efficiency. However we find that in CdTe and Si samples prepared by focused ion beam (FIB) milling, there is a reduced and nonuniform EBIC lineshape for excitations in the depletion region. Motivated by this, we present a model of the EBIC response for excitations in the depletion region which includes the effects of surface recombination from both charge-neutral and charged surfaces. For neutral surfaces we present a simple analytical formula which describes the numerical data well, while the charged surface response depends qualitatively on the location of the surface Fermi level relative to the bulk Fermi level. We find the experimental data on FIB-prepared Si solar cells is most consistent with a charged surface, and discuss the implications for EBIC experiments on polycrystalline materials.

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V xAs

DOE PAGES

Xing, L. Y.; Shi, X.; Richard, P.; ...

2016-09-28

Here we synthesized a series of V-doped LiFe 1₋xV xAs single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that themore » temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz/dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋xV xAs suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.« less

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V xAs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xing, L. Y.; Shi, X.; Richard, P.

Here we synthesized a series of V-doped LiFe 1₋xV xAs single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that themore » temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz/dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋xV xAs suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.« less

Two-photon momentum density in La2-xSrxCuO4 and Nd2-xCexCuO4

NASA Astrophysics Data System (ADS)

Blandin, P.; Massidda, S.; Barbiellini, B.; Jarlborg, T.; Lerch, P.; Manuel, A. A.; Hoffmann, L.; Gauthier, M.; Sadowski, W.; Walker, E.; Peter, M.; Yu, Jaejun; Freeman, A. J.

1992-07-01

We present calculations of the electron-positron momentum density for the high-Tc superconductors La2-xSrxCuO4 and Nd2-xCexCuO4, together with experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) for Nd2-xCexCuO4. The calculations are based on first-principles electronic structure obtained using the full-potential linearized augmented-plane-wave and the linear muffin-tin orbital methods. Our results indicate a non-negligible overlap of the positron wave function with the CuO2 plane electrons responsible for the Fermi surfaces in these compounds. Therefore, these compounds may be well suited for investigating Fermi-surface-related effects. After the folding of umklapp terms according to Lock, Crisp, and West, the predicted Fermi-surface breaks are mixed with strong effects induced by the positron wave function in La2-xSrxCuO4, while their resolution is better in Nd2-xCexCuO4. A comparison of our calculations with the most recent experimental results for La2-xSrxCuO4 shows good agreement. For Nd2-xCexCuO4 good agreement is observed between theoretical and experimental 2D-ACAR profiles.

Complementary views on electron spectra: From fluctuation diagnostics to real-space correlations

NASA Astrophysics Data System (ADS)

Gunnarsson, O.; Merino, J.; Schäfer, T.; Sangiovanni, G.; Rohringer, G.; Toschi, A.

2018-03-01

We study the relation between the microscopic properties of a many-body system and the electron spectra, experimentally accessible by photoemission. In a recent paper [O. Gunnarsson et al., Phys. Rev. Lett. 114, 236402 (2015), 10.1103/PhysRevLett.114.236402], we introduced the "fluctuation diagnostics" approach to extract the dominant wave-vector-dependent bosonic fluctuations from the electronic self-energy. Here, we first reformulate the theory in terms of fermionic modes to render its connection with resonance valence bond (RVB) fluctuations more transparent. Second, by using a large-U expansion, where U is the Coulomb interaction, we relate the fluctuations to real-space correlations. Therefore, it becomes possible to study how electron spectra are related to charge, spin, superconductivity, and RVB-like real-space correlations, broadening the analysis of an earlier work [J. Merino and O. Gunnarsson, Phys. Rev. B 89, 245130 (2014), 10.1103/PhysRevB.89.245130]. This formalism is applied to the pseudogap physics of the two-dimensional Hubbard model, studied in the dynamical cluster approximation. We perform calculations for embedded clusters with up to 32 sites, having three inequivalent K points at the Fermi surface. We find that as U is increased, correlation functions gradually attain values consistent with an RVB state. This first happens for correlation functions involving the antinodal point and gradually spreads to the nodal point along the Fermi surface. Simultaneously, a pseudogap opens up along the Fermi surface. We relate this to a crossover from a Kondo-type state to an RVB-like localized cluster state and to the presence of RVB and spin fluctuations. These changes are caused by a strong momentum dependence in the cluster bath couplings along the Fermi surface. We also show, from a more algorithmic perspective, how the time-consuming calculations in fluctuation diagnostics can be drastically simplified.

Ultrafast chemical interface scattering as an additional decay channel for nascent nonthermal electrons in small metal nanoparticles.

PubMed

Bauer, Christophe; Abid, Jean-Pierre; Fermin, David; Girault, Hubert H

2004-05-15

The use of 4.2 nm gold nanoparticles wrapped in an adsorbates shell and embedded in a TiO2 metal oxide matrix gives the opportunity to investigate ultrafast electron-electron scattering dynamics in combination with electronic surface phenomena via the surface plasmon lifetimes. These gold nanoparticles (NPs) exhibit a large nonclassical broadening of the surface plasmon band, which is attributed to a chemical interface damping. The acceleration of the loss of surface plasmon phase coherence indicates that the energy and the momentum of the collective electrons can be dissipated into electronic affinity levels of adsorbates. As a result of the preparation process, gold NPs are wrapped in a shell of sulfate compounds that gives rise to a large density of interfacial molecules confined between Au and TiO2, as revealed by Fourier-transform-infrared spectroscopy. A detailed analysis of the transient absorption spectra obtained by broadband femtosecond transient absorption spectroscopy allows separating electron-electron and electron-phonon interaction. Internal thermalization times (electron-electron scattering) are determined by probing the decay of nascent nonthermal electrons (NNEs) and the build-up of the Fermi-Dirac electron distribution, giving time constants of 540 to 760 fs at 0.42 and 0.34 eV from the Fermi level, respectively. Comparison with literature data reveals that lifetimes of NNEs measured for these small gold NPs are more than four times longer than for silver NPs with similar sizes. The surprisingly long internal thermalization time is attributed to an additional decay mechanism (besides the classical e-e scattering) for the energy loss of NNEs, identified as the ultrafast chemical interface scattering process. NNEs experience an inelastic resonant scattering process into unoccupied electronic states of adsorbates, that directly act as an efficient heat bath, via the excitation of molecular vibrational modes. The two-temperature model is no longer valid for this system because of (i) the temporal overlap between the internal and external thermalization process is very important; (ii) a part of the photonic energy is directly transferred toward the adsorbates (not among "cold" conduction band electrons). These findings have important consequence for femtochemistry on metal surfaces since they show that reactions can be initiated by nascent nonthermal electrons (as photoexcited, out of a Fermi-Dirac distribution) besides of the hot electron gas.

Berry phase and anomalous transport of the composite fermions at the half-filled Landau level

NASA Astrophysics Data System (ADS)

Pan, W.; Kang, W.; Baldwin, K. W.; West, K. W.; Pfeiffer, L. N.; Tsui, D. C.

2017-12-01

The fractional quantum Hall effect (FQHE) in two-dimensional electron systems is an exotic, superfluid-like matter with an emergent topological order. From the consideration of the Aharonov-Bohm interaction between electrons and magnetic field, the ground state of a half-filled lowest Landau level is mathematically transformed to a Fermi sea of composite objects of electrons bound to two flux quanta, termed composite fermions (CFs). A strong support for the CF theories comes from experimental confirmation of the predicted Fermi surface at ν = 1/2 (where ν is the Landau level filling factor) from the detection of the Fermi wavevector in semi-classical geometrical resonance experiments. Recent developments in the theory of CFs have led to the prediction of a π Berry phase for the CF circling around the Fermi surface at half-filling. In this paper we provide experimental evidence for the detection of the Berry phase of CFs in the fractional quantum Hall effect. Our measurements of the Shubnikov-de Haas oscillations of CFs as a function carrier density at a fixed magnetic field provide strong support for the existence of a π Berry phase at ν = 1/2. We also discover that the conductivity of composite fermions at ν = 1/2 displays an anomalous linear density dependence, whose origin remains mysterious yet tantalizing.

Theoretical and experimental investigations of superconductivity. Amorphous semiconductors, superconductivity and magnetism

NASA Technical Reports Server (NTRS)

Cohen, M. H.

1973-01-01

The research activities from 1 March 1963 to 28 February 1973 are summarized. Major lectures are listed along with publications on superconductivity, superfluidity, electronic structures and Fermi surfaces of metals, optical spectra of solids, electronic structure of insulators and semiconductors, theory of magnetic metals, physics of surfaces, structures of metals, and molecular physics.

Importance of nonlocal electron correlation in the BaNiS2 semimetal from quantum oscillations studies

NASA Astrophysics Data System (ADS)

Klein, Yannick; Casula, Michele; Santos-Cottin, David; Audouard, Alain; Vignolles, David; Fève, Gwendal; Freulon, Vincent; Plaçais, Bernard; Verseils, Marine; Yang, Hancheng; Paulatto, Lorenzo; Gauzzi, Andrea

2018-02-01

By means of Shubnikov-de Haas and de Haas-van Alphen oscillations, and ab initio calculations, we have studied the Fermi surface of high-quality BaNiS2 single crystals, with mean free path l ˜400 Å . The angle and temperature dependence of quantum oscillations indicates a quasi-two-dimensional Fermi surface, made of an electronlike tube centered at Γ , and of four holelike cones, generated by Dirac bands, weakly dispersive in the out-of-plane direction. Ab initio electronic structure calculations, in the density functional theory framework, show that the inclusion of screened exchange is necessary to account for the experimental Fermi pockets. Therefore, the choice of the functional becomes crucial. A modified HSE hybrid functional with 7% of exact exchange outperforms both GGA and GGA +U density functionals, signaling the importance of nonlocal screened-exchange interactions in BaNiS2, and, more generally, in 3 d compensated semimetals.

Fermi surface interconnectivity and topology in Weyl fermion semimetals TaAs, TaP, NbAs, and NbP

DOE PAGES

Lee, Chi-Cheng; Xu, Su-Yang; Huang, Shin-Ming; ...

2015-12-01

The family of binary compounds including TaAs, TaP, NbAs, and NbP was recently discovered as the first realization of Weyl semimetals. In order to develop a comprehensive description of the charge carriers in these Weyl semimetals, we performed detailed and systematic electronic band structure calculations which reveal the nature of Fermi surfaces and their complex interconnectivity in TaAs, TaP, NbAs, and NbP. In conclusion, our work reports a comparative and comprehensive study of Fermi surface topology and band structure details of all known members of the Weyl semimetal family and hence provides the fundamental knowledge for realizing the many predictedmore » exotic topological quantum physics of Weyl semimetals based on the TaAs class of materials.« less

Electron nematic fluid in a strained S r3R u2O7 film

NASA Astrophysics Data System (ADS)

Marshall, Patrick B.; Ahadi, Kaveh; Kim, Honggyu; Stemmer, Susanne

2018-04-01

S r3R u2O7 belongs to the family of layered strontium ruthenates and exhibits a range of unusual emergent properties, such as electron nematic behavior and metamagnetism. Here, we show that epitaxial film strain significantly modifies these phenomena. In particular, we observe enhanced magnetic interactions and an electron nematic phase that extends to much higher temperatures and over a larger magnetic-field range than in bulk single crystals. Furthermore, the films show an unusual anisotropic non-Fermi-liquid behavior that is controlled by the direction of the applied magnetic field. At high magnetic fields, the metamagnetic transition to a ferromagnetic phase recovers isotropic Fermi-liquid behavior. The results support the interpretation that these phenomena are linked to the special features of the Fermi surface, which can be tuned by both film strain and an applied magnetic field.

Phenomenological view at the two-component physics of cuprates

NASA Astrophysics Data System (ADS)

Teitel'baum, G. B.

2017-08-01

In the search for mechanisms of high- T c superconductivity it is critical to know the electronic spectrum in the pseudogap phase from which superconductivity evolves. The lack of ARPES data for every cuprate family precludes an agreement as to its structure, doping and temperature dependence and the role of charge ordering. No approach has been developed yet to address the issue theoretically, and we limit ourselves by the phenomenological analysis of the experimental data. We argue that, in the Fermi-liquid-like regime ubiquitous in underdoped cuprates, the spectrum consists of holes on the Fermi arcs and an electronic pocket in contrast to the idea of the Fermi surface reconstruction via charge ordering. At high temperatures, the electrons are dragged by holes while at lower temperatures they get decoupled. The longstanding issue of the origin of the negative Hall coefficient in YBCO and Hg1201 at low temperature is resolved: the electronic contribution prevails, as its mobility becomes temperature independent, while the mobility of holes, scattered by the shortwavelength charge density waves, decreases.

Large Diamagnetic Susceptibility from Petit Fermi Surfaces in LaV2Al20

NASA Astrophysics Data System (ADS)

Hirose, Takahiro; Okamoto, Yoshihiko; Yamaura, Jun-ichi; Hiroi, Zenji

2015-11-01

The large diamagnetic susceptibility of LaV2Al20 is studied by magnetization and de Haas-van Alphen (dHvA) oscillation measurements on single crystals as well as by Ti-for-V substitution (hole doping) experiments. Its origin is ascribed to a tiny holelike Fermi surface (FS) with a low Fermi temperature of 140 K and a small dHvA frequency of 19 T. The FS has a characteristic anisotropy that is approximated by six spheroidal hole pockets elongated along the cubic <001> directions with a minimum effective mass of 0.067 times the free electron mass. This characteristic FS can generate an unusually large Landau-Peierls diamagnetic susceptibility as observed experimentally in LaV2Al20.

Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

PubMed

Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

2016-02-09

We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime.

Enhanced generation and anisotropic Coulomb scattering of hot electrons in an ultra-broadband plasmonic nanopatch metasurface.

PubMed

Sykes, Matthew E; Stewart, Jon W; Akselrod, Gleb M; Kong, Xiang-Tian; Wang, Zhiming; Gosztola, David J; Martinson, Alex B F; Rosenmann, Daniel; Mikkelsen, Maiken H; Govorov, Alexander O; Wiederrecht, Gary P

2017-10-17

The creation of energetic electrons through plasmon excitation of nanostructures before thermalization has been proposed for a wide number of applications in optical energy conversion and ultrafast nanophotonics. However, the use of "nonthermal" electrons is primarily limited by both a low generation efficiency and their ultrafast decay. We report experimental and theoretical results on the use of broadband plasmonic nanopatch metasurfaces comprising a gold substrate coupled to silver nanocubes that produce large concentrations of hot electrons, which we measure using transient absorption spectroscopy. We find evidence for three subpopulations of nonthermal carriers, which we propose arise from anisotropic electron-electron scattering within sp-bands near the Fermi surface. The bimetallic character of the metasurface strongly impacts the physics, with dissipation occurring primarily in the gold, whereas the quantum process of hot electron generation takes place in both components. Our calculations show that the choice of geometry and materials is crucial for producing strong ultrafast nonthermal electron components.The creation of energetic electrons through plasmon excitation has implications in optical energy conversion and ultrafast nanophotonics. Here, the authors find evidence for three subpopulations of nonthermal carriers which arise from anisotropic electron-electron scattering near the Fermi surface.

Stable topological insulators achieved using high energy electron beams

PubMed Central

Zhao, Lukas; Konczykowski, Marcin; Deng, Haiming; Korzhovska, Inna; Begliarbekov, Milan; Chen, Zhiyi; Papalazarou, Evangelos; Marsi, Marino; Perfetti, Luca; Hruban, Andrzej; Wołoś, Agnieszka; Krusin-Elbaum, Lia

2016-01-01

Topological insulators are potentially transformative quantum solids with metallic surface states which have Dirac band structure and are immune to disorder. Ubiquitous charged bulk defects, however, pull the Fermi energy into the bulk bands, denying access to surface charge transport. Here we demonstrate that irradiation with swift (∼2.5 MeV energy) electron beams allows to compensate these defects, bring the Fermi level back into the bulk gap and reach the charge neutrality point (CNP). Controlling the beam fluence, we tune bulk conductivity from p- (hole-like) to n-type (electron-like), crossing the Dirac point and back, while preserving the Dirac energy dispersion. The CNP conductance has a two-dimensional character on the order of ten conductance quanta and reveals, both in Bi2Te3 and Bi2Se3, the presence of only two quantum channels corresponding to two topological surfaces. The intrinsic quantum transport of the topological states is accessible disregarding the bulk size. PMID:26961901

Fermi level pinning characterisation on ammonium fluoride-treated surfaces of silicon by energy-filtered doping contrast in the scanning electron microscope

PubMed Central

Chee, Augustus K. W.

2016-01-01

Two-dimensional dopant profiling using the secondary electron (SE) signal in the scanning electron microscope (SEM) is a technique gaining impulse for its ability to enable rapid and contactless low-cost diagnostics for integrated device manufacturing. The basis is doping contrast from electrical p-n junctions, which can be influenced by wet-chemical processing methods typically adopted in ULSI technology. This paper describes the results of doping contrast studies by energy-filtering in the SEM from silicon p-n junction specimens that were etched in ammonium fluoride solution. Experimental SE micro-spectroscopy and numerical simulations indicate that Fermi level pinning occurred on the surface of the treated-specimen, and that the doping contrast can be explained in terms of the ionisation energy integral for SEs, which is a function of the dopant concentration, and surface band-bending effects that prevail in the mechanism for doping contrast as patch fields from the specimen are suppressed. PMID:27576347

Fermiology and Superconductivity of Topological Surface States in PdTe2

NASA Astrophysics Data System (ADS)

Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

2018-04-01

We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

Fermi surface measurements in YBa2Cu3O(7-x) and La(1.874)Sr(126)CuO4

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P. A.; Solal, F.; Fluss, M. J.; Haghighi, H.; Kaiser, J. H.; Rayner, S. L.; West, R. N.; Liu, J. Z.; Shelton, R.

1991-06-01

We report new, ultra high precision measurements of the electron-positron momentum spectra of YBa2Cu3O(7-x) and La(1.874)Sr(126)CuO4. The YBCO experiments were performed on twin free, single crystals and show discontinuities with the symmetry of the Fermi surface of the CuO chain bands. Conduction band and underlying features in LSCO share the same symmetry and can only be separated with the aid of LDA calculations.

Fermi surface measurements in YBa 2Cu 3O 7- x and La 1.874Sr .126CuO 4

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P. A.; Solal, F.; Fluss, M. J.; Haghight, H.; Kaiser, J. H.; Rayner, S. L.; West, R. N.; Liu, J. Z.; Shelton, R.; Kojima, H.; Kitazawa, K.

1991-12-01

We report new, ultra high precision measurements of the electron-positron momentum spectra of YBa 2Cu 3O 7- x and La 1.874Sr .126CuO 4. The YBCO experiments were performed on twin free, single crystals and show discontinuities with the symmetry of the Fermi surface of the CuO chain bands. Conduction band and underlying features in LSCO share the same symmetry and can only be separated with the aid of LDA calculations.

Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na3VF6

NASA Astrophysics Data System (ADS)

Reshak, A. H.; Azam, Sikander

2014-05-01

The electronic structure, charge density and Fermi surface of Na3VF6 compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel-Vosko GGA (EVGGA) to treat the exchange correlation potential to solve Kohn-Sham equations. The calculation show that Na3VF6 compound has metallic nature and the Fermi energy (EF) is assessed by overlapping of V-d state. The calculated density of states at the EF are about 18.655, 51.932 and 13.235 states/eV, and the bare linear low-temperature electronic specific heat coefficient (γ) is found to be 3.236 mJ/mol-K2, 9.008 mJ/mol-K2 and 2.295 mJ/mol-K2 for LDA, GGA and EVGGA, respectively. The Fermi surface is composed of two sheets. The chemical bonding of Na3VF6 compound is analyzed through the electronic charge density in the (1 1 0) crystallographic plane. The optical constants and thermal properties were also calculated and discussed.

Superconductivity in doped Dirac semimetals

NASA Astrophysics Data System (ADS)

Hashimoto, Tatsuki; Kobayashi, Shingo; Tanaka, Yukio; Sato, Masatoshi

2016-07-01

We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a 4 ×4 matrix and six types of k -independent pair potentials are allowed by the Fermi-Dirac statistics. We show that the unique spin-orbit coupling leads to characteristic superconducting gap structures and d vectors on the Fermi surface and the electron-electron interaction between intra and interorbitals gives a novel phase diagram of superconductivity. It is found that when the interorbital attraction is dominant, an unconventional superconducting state with point nodes appears. To verify the experimental signature of possible superconducting states, we calculate the temperature dependence of bulk physical properties such as electronic specific heat and spin susceptibility and surface state. In the unconventional superconducting phase, either dispersive or flat Andreev bound states appear between point nodes, which leads to double peaks or a single peak in the surface density of states, respectively. As a result, possible superconducting states can be distinguished by combining bulk and surface measurements.

First-Principles Momentum Dependent Local Ansatz Approach to the Momentum Distribution Function in Iron-Group Transition Metals

NASA Astrophysics Data System (ADS)

Kakehashi, Yoshiro; Chandra, Sumal

2017-03-01

The momentum distribution function (MDF) bands of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz wavefunction method. It is found that the MDF for d electrons show a strong momentum dependence and a large deviation from the Fermi-Dirac distribution function along high-symmetry lines of the first Brillouin zone, while the sp electrons behave as independent electrons. In particular, the deviation in bcc Fe (fcc Ni) is shown to be enhanced by the narrow eg (t2g) bands with flat dispersion in the vicinity of the Fermi level. Mass enhancement factors (MEF) calculated from the jump on the Fermi surface are also shown to be momentum dependent. Large mass enhancements of Mn and Fe are found to be caused by spin fluctuations due to d electrons, while that for Ni is mainly caused by charge fluctuations. Calculated MEF are consistent with electronic specific heat data as well as recent angle resolved photoemission spectroscopy data.

Fermi surface topology and hot spot distribution in the Kondo lattice system CeB 6

DOE PAGES

Neupane, Madhab; Alidoust, Nasser; Belopolski, Ilya; ...

2015-09-18

Rare-earth hexaborides have attracted considerable attention recently in connection to a variety of correlated phenomena including heavy fermions, superconductivity, and low-temperature magnetic phases. Here, we present high-resolution angle-resolved photoemission spectroscopy studies of trivalent CeB 6 and divalent BaB 6 rare-earth hexaborides. Here we find that the Fermi surface electronic structure of CeB 6 consists of large oval-shaped pockets around the X points of the Brillouin zone, whereas the states around the zone center Γ point are strongly renormalized. Our first-principles calculations agree with our experimental results around the X points but not around the Γ point, indicating areas of strongmore » renormalization located near Γ. The Ce quasiparticle states participate in the formation of hot spots at the Fermi surface, whereas the incoherent f states hybridize and lead to the emergence of dispersive features absent in the non-$f$ counterpart BaB 6. Lastly, our results provide an understanding of the electronic structure in rare-earth hexaborides, which will be useful in elucidating the nature of the exotic low-temperature phases in these materials.« less

Implementation of a method for calculating temperature-dependent resistivities in the KKR formalism

NASA Astrophysics Data System (ADS)

Mahr, Carsten E.; Czerner, Michael; Heiliger, Christian

2017-10-01

We present a method to calculate the electron-phonon induced resistivity of metals in scattering-time approximation based on the nonequilibrium Green's function formalism. The general theory as well as its implementation in a density-functional theory based Korringa-Kohn-Rostoker code are described and subsequently verified by studying copper as a test system. We model the thermal expansion by fitting a Debye-Grüneisen curve to experimental data. Both the electronic and vibrational structures are discussed for different temperatures, and employing a Wannier interpolation of these quantities we evaluate the scattering time by integrating the electron linewidth on a triangulation of the Fermi surface. Based thereupon, the temperature-dependent resistivity is calculated and found to be in good agreement with experiment. We show that the effect of thermal expansion has to be considered in the whole calculation regime. Further, for low temperatures, an accurate sampling of the Fermi surface becomes important.

Quantum states and optical responses of low-dimensional electron hole systems

NASA Astrophysics Data System (ADS)

Ogawa, Tetsuo

2004-09-01

Quantum states and their optical responses of low-dimensional electron-hole systems in photoexcited semiconductors and/or metals are reviewed from a theoretical viewpoint, stressing the electron-hole Coulomb interaction, the excitonic effects, the Fermi-surface effects and the dimensionality. Recent progress of theoretical studies is stressed and important problems to be solved are introduced. We cover not only single-exciton problems but also few-exciton and many-exciton problems, including electron-hole plasma situations. Dimensionality of the Wannier exciton is clarified in terms of its linear and nonlinear responses. We also discuss a biexciton system, exciton bosonization technique, high-density degenerate electron-hole systems, gas-liquid phase separation in an excited state and the Fermi-edge singularity due to a Mahan exciton in a low-dimensional metal.

Superconductivity in YTE2Ge2 compounds (TE = d-electron transition metal)

NASA Astrophysics Data System (ADS)

Chajewski, G.; Samsel-Czekała, M.; Hackemer, A.; Wiśniewski, P.; Pikul, A. P.; Kaczorowski, D.

2018-05-01

Polycrystalline samples of YTE2Ge2 with TE = Co, Ni, Ru, Rh, Pd and Pt were synthesized and characterized by means of X-ray powder diffraction and low-temperature electrical resistivity and specific heat measurements, supplemented by fully relativistic full-potential local-orbital band structure calculations. We confirm that most of the compounds studied crystallize in a body-centered tetragonal ThCr2S2 -type structure (space group I 4 / mmm) and have three-dimensional Fermi surfaces, while only one of them (YPt2Ge2) forms with a primitive tetragonal CaBe2Ge2 -type unit cell (space group P 4 / nmm) and possesses quasi-two-dimensional Fermi surface sheets with some nesting. Physical properties data show conventional superconductivity in the phases with TE = Co, Pd and Pt, i.e. independently of the structure type (and hence the dimensionality of the Fermi surface).

Twisted Fermi surface of a thin-film Weyl semimetal

NASA Astrophysics Data System (ADS)

Bovenzi, N.; Breitkreiz, M.; O'Brien, T. E.; Tworzydło, J.; Beenakker, C. W. J.

2018-02-01

The Fermi surface of a conventional two-dimensional electron gas is equivalent to a circle, up to smooth deformations that preserve the orientation of the equi-energy contour. Here we show that a Weyl semimetal confined to a thin film with an in-plane magnetization and broken spatial inversion symmetry can have a topologically distinct Fermi surface that is twisted into a figure-8—opposite orientations are coupled at a crossing which is protected up to an exponentially small gap. The twisted spectral response to a perpendicular magnetic field B is distinct from that of a deformed Fermi circle, because the two lobes of a figure-8 cyclotron orbit give opposite contributions to the Aharonov-Bohm phase. The magnetic edge channels come in two counterpropagating types, a wide channel of width β {l}m2\\propto 1/B and a narrow channel of width {l}m\\propto 1/\\sqrt{B} (with {l}m=\\sqrt{{\\hslash }/{eB}} the magnetic length and β the momentum separation of the Weyl points). Only one of the two is transmitted into a metallic contact, providing unique magnetotransport signatures.

Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2

NASA Astrophysics Data System (ADS)

Deng, Ke; Wan, Guoliang; Deng, Peng; Zhang, Kenan; Ding, Shijie; Wang, Eryin; Yan, Mingzhe; Huang, Huaqing; Zhang, Hongyun; Xu, Zhilin; Denlinger, Jonathan; Fedorov, Alexei; Yang, Haitao; Duan, Wenhui; Yao, Hong; Wu, Yang; Fan, Shoushan; Zhang, Haijun; Chen, Xi; Zhou, Shuyun

2016-12-01

Weyl semimetal is a new quantum state of matter hosting the condensed matter physics counterpart of the relativistic Weyl fermions originally introduced in high-energy physics. The Weyl semimetal phase realized in the TaAs class of materials features multiple Fermi arcs arising from topological surface states and exhibits novel quantum phenomena, such as a chiral anomaly-induced negative magnetoresistance and possibly emergent supersymmetry. Recently it was proposed theoretically that a new type (type-II) of Weyl fermion that arises due to the breaking of Lorentz invariance, which does not have a counterpart in high-energy physics, can emerge as topologically protected touching between electron and hole pockets. Here, we report direct experimental evidence of topological Fermi arcs in the predicted type-II Weyl semimetal MoTe2 (refs ,,). The topological surface states are confirmed by directly observing the surface states using bulk- and surface-sensitive angle-resolved photoemission spectroscopy, and the quasi-particle interference pattern between the putative topological Fermi arcs in scanning tunnelling microscopy. By establishing MoTe2 as an experimental realization of a type-II Weyl semimetal, our work opens up opportunities for probing the physical properties of this exciting new state.

Pairing in a dry Fermi sea

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maier, Thomas A.; Staar, Peter; Mishra, V.

In the traditional Bardeen–Cooper–Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. In this paper, wemore » report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. Finally, in contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin–fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability.« less

Pairing in a dry Fermi sea

DOE PAGES

Maier, Thomas A.; Staar, Peter; Mishra, V.; ...

2016-06-17

In the traditional Bardeen–Cooper–Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. In this paper, wemore » report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. Finally, in contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin–fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability.« less

Electronic origin of high-temperature superconductivity in single-layer FeSe superconductor.

PubMed

Liu, Defa; Zhang, Wenhao; Mou, Daixiang; He, Junfeng; Ou, Yun-Bo; Wang, Qing-Yan; Li, Zhi; Wang, Lili; Zhao, Lin; He, Shaolong; Peng, Yingying; Liu, Xu; Chen, Chaoyu; Yu, Li; Liu, Guodong; Dong, Xiaoli; Zhang, Jun; Chen, Chuangtian; Xu, Zuyan; Hu, Jiangping; Chen, Xi; Ma, Xucun; Xue, Qikun; Zhou, X J

2012-07-03

The recent discovery of high-temperature superconductivity in iron-based compounds has attracted much attention. How to further increase the superconducting transition temperature (T(c)) and how to understand the superconductivity mechanism are two prominent issues facing the current study of iron-based superconductors. The latest report of high-T(c) superconductivity in a single-layer FeSe is therefore both surprising and significant. Here we present investigations of the electronic structure and superconducting gap of the single-layer FeSe superconductor. Its Fermi surface is distinct from other iron-based superconductors, consisting only of electron-like pockets near the zone corner without indication of any Fermi surface around the zone centre. Nearly isotropic superconducting gap is observed in this strictly two-dimensional system. The temperature dependence of the superconducting gap gives a transition temperature T(c)~ 55 K. These results have established a clear case that such a simple electronic structure is compatible with high-T(c) superconductivity in iron-based superconductors.

Electron-hole pairing of Fermi-arc surface states in a Weyl semimetal bilayer

NASA Astrophysics Data System (ADS)

Michetti, Paolo; Timm, Carsten

2017-03-01

The topological nature of Weyl semimetals (WSMs) is corroborated by the presence of chiral surface states, which connect the projections of the bulk Weyl points by Fermi arcs (FAs). We study a bilayer structure realized by introducing a thin insulating spacer into a bulk WSM. Employing a self-consistent mean-field description of the interlayer Coulomb interaction, we propose that this system can develop an interlayer electron-hole pair condensate. The formation of this excitonic condensate leads to partial gapping of the FA dispersion. We obtain the dependence of the energy gap and the critical temperature on the model parameters, finding, in particular, a linear scaling of these quantities with the separation between the Weyl points in momentum space. A detrimental role is played by the curvature of the FAs, although the pairing persists for moderately small curvature. A signature of the condensate is the modification of the quantum oscillations involving the surface FAs.

Depletion region surface effects in electron beam induced current measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haney, Paul M.; Zhitenev, Nikolai B.; Yoon, Heayoung P.

2016-09-07

Electron beam induced current (EBIC) is a powerful characterization technique which offers the high spatial resolution needed to study polycrystalline solar cells. Current models of EBIC assume that excitations in the p-n junction depletion region result in perfect charge collection efficiency. However, we find that in CdTe and Si samples prepared by focused ion beam (FIB) milling, there is a reduced and nonuniform EBIC lineshape for excitations in the depletion region. Motivated by this, we present a model of the EBIC response for excitations in the depletion region which includes the effects of surface recombination from both charge-neutral and chargedmore » surfaces. For neutral surfaces, we present a simple analytical formula which describes the numerical data well, while the charged surface response depends qualitatively on the location of the surface Fermi level relative to the bulk Fermi level. We find that the experimental data on FIB-prepared Si solar cells are most consistent with a charged surface and discuss the implications for EBIC experiments on polycrystalline materials.« less

Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice

NASA Astrophysics Data System (ADS)

Einstein, Theodore; Patrone, Paul

2012-02-01

Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.

Antiphase Fermi-surface modulations accompanying displacement excitation in a parent compound of iron-based superconductors

NASA Astrophysics Data System (ADS)

Okazaki, Kozo; Suzuki, Hakuto; Suzuki, Takeshi; Yamamoto, Takashi; Someya, Takashi; Ogawa, Yu; Okada, Masaru; Fujisawa, Masami; Kanai, Teruto; Ishii, Nobuhisa; Itatani, Jiro; Nakajima, Masamichi; Eisaki, Hiroshi; Fujimori, Atsushi; Shin, Shik

2018-03-01

We investigate the transient electronic structure of BaFe2As2 , a parent compound of iron-based superconductors, by time- and angle-resolved photoemission spectroscopy. In order to probe the entire Brillouin zone, we utilize extreme ultraviolet photons and observe photoemission intensity oscillation with the frequency of the A1 g phonon which is antiphase between the zone-centered hole Fermi surfaces (FSs) and zone-cornered electron FSs. We attribute the antiphase behavior to the warping in one of the zone-centered hole FSs accompanying the displacement of the pnictogen height and find that this displacement is the same direction as that induced by substitution of P for As, where superconductivity is induced by a structural modification without carrier doping in this system.

Origin of Superconductivity and Latent Charge Density Wave in NbS2

NASA Astrophysics Data System (ADS)

Heil, Christoph; Poncé, Samuel; Lambert, Henry; Schlipf, Martin; Margine, Elena R.; Giustino, Feliciano

2017-08-01

We elucidate the origin of the phonon-mediated superconductivity in 2 H -NbS2 using the ab initio anisotropic Migdal-Eliashberg theory including Coulomb interactions. We demonstrate that superconductivity is associated with Fermi surface hot spots exhibiting an unusually strong electron-phonon interaction. The electron-lattice coupling is dominated by low-energy anharmonic phonons, which place the system on the verge of a charge density wave instability. We also provide definitive evidence for two-gap superconductivity in 2 H -NbS2 , and show that the low- and high-energy peaks observed in tunneling spectra correspond to the Γ - and K -centered Fermi surface pockets, respectively. The present findings call for further efforts to determine whether our proposed mechanism underpins superconductivity in the whole family of metallic transition metal dichalcogenides.

Magnetic and Fermi Surface Properties of EuGa4

NASA Astrophysics Data System (ADS)

Nakamura, Ai; Hiranaka, Yuichi; Hedo, Masato; Nakama, Takao; Miura, Yasunao; Tsutsumi, Hiroki; Mori, Akinobu; Ishida, Kazuhiro; Mitamura, Katsuya; Hirose, Yusuke; Sugiyama, Kiyohiro; Honda, Fuminori; Settai, Rikio; Takeuchi, Tetsuya; Hagiwara, Masayuki; Matsuda, Tatsuma D.; Yamamoto, Etsuji; Haga, Yoshinori; Matsubayashi, Kazuyuki; Uwatoko, Yoshiya; Harima, Hisatomo; Ōnuki, Yoshichika

2013-10-01

We grew a high-quality single crystal EuGa4 with the tetragonal structure by the Ga self-flux method, and measured the electrical resistivity, magnetic susceptibility, high-field magnetization, specific heat, thermoelectric power and de Haas--van Alphen (dHvA) effect, together with the electrical resistivity and thermoelectric power under pressure. EuGa4 is found to be a Eu-divalent compound without anisotropy of the magnetic susceptibility in the paramagnetic state and to reveal the same magnetization curve between H \\parallel [100] and [001] in the antiferromagnetic state, where the antiferromagnetic easy-axis is oriented along the [100] direction below a Néel temperature TN=16.5 K. The magnetization curve is discussed on the basis of a simple two-sublattice model. The Fermi surface in the paramagnetic state was clarified from the results of a dHvA experiment for EuGa4 and an energy band calculation for a non-4f reference compound SrGa4, which consists of a small ellipsoidal hole--Fermi surface and a compensated cube-like electron--Fermi surface with vacant space in center. We observed an anomaly in the temperature dependence of the electrical resistivity and thermoelectric power at TCDW=150 K under 2 GPa. This might correspond to an emergence of the charge density wave (CDW). The similar phenomenon was also observed in EuAl4 at ambient pressure. We discussed the CDW phenomenon on the basis of the present peculiar Fermi surfaces.

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides.

PubMed

Charnukha, A; Evtushinsky, D V; Matt, C E; Xu, N; Shi, M; Büchner, B; Zhigadlo, N D; Batlogg, B; Borisenko, S V

2015-12-18

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides

NASA Astrophysics Data System (ADS)

Charnukha, A.; Evtushinsky, D. V.; Matt, C. E.; Xu, N.; Shi, M.; Büchner, B.; Zhigadlo, N. D.; Batlogg, B.; Borisenko, S. V.

2015-12-01

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

Fermiology of the strongly spin-orbit coupled superconductor Sn(1-x)In(x)Te: implications for topological superconductivity.

PubMed

Sato, T; Tanaka, Y; Nakayama, K; Souma, S; Takahashi, T; Sasaki, S; Ren, Z; Taskin, A A; Segawa, Kouji; Ando, Yoichi

2013-05-17

We have performed angle-resolved photoemission spectroscopy on the strongly spin-orbit coupled low-carrier density superconductor Sn(1-x)In(x)Te (x = 0.045) to elucidate the electronic states relevant to the possible occurrence of topological superconductivity, as recently reported for this compound based on point-contact spectroscopy. The obtained energy-band structure reveals a small holelike Fermi surface centered at the L point of the bulk Brillouin zone, together with a signature of a topological surface state, indicating that this material is a doped topological crystalline insulator characterized by band inversion and mirror symmetry. A comparison of the electronic states with a band-noninverted superconductor possessing a similar Fermi surface structure, Pb(1-x)Tl(x)Te, suggests that the anomalous behavior in the superconducting state of Sn(1-x)In(x)Te is related to the peculiar orbital characteristics of the bulk valence band and/or the presence of a topological surface state.

Theoretical study of the noble metals on semiconductor surfaces and Ti-base shape memory alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, Yungui

1994-07-27

The electronic and structural properties of the (√3 x√3) R30° Ag/Si(111) and (√3 x √3) R30° Au/Si(111) surfaces are investigated using first principles total energy calculations. We have tested almost all experimentally proposed structural models for both surfaces and found the energetically most favorable model for each of them. The lowest energy model structure of the (√3 x √3) R30° Ag/Si(111) surface consists of a top layer of Ag atoms arranged as ``honeycomb-chained-trimers`` lying above a distorted ``missing top layer`` Si(111) substrate. The coverage of Ag is 1 monolayer (ML). We find that the honeycomb structure observed in STM imagesmore » arise from the electronic charge densities of an empty surface band near the Fermi level. The electronic density of states of this model gives a ``pseudo-gap`` around the Fermi level, which is consistent with experimental results. The lowest energy model for the (√3 x √3) R30° Au/Si(111) surface is a conjugate honeycomb-chained-trimer (CHCT-1) configuration which consists of a top layer of trimers formed by 1 ML Au atoms lying above a ``missing top layer`` Si(111) substrate with a honeycomb-chained-trimer structure for its first layer. The structures of Au and Ag are in fact quite similar and belong to the same class of structural models. However, small variation in the structural details gives rise to quite different observed STM images, as revealed in the theoretical calculations. The electronic charge density from bands around the Fermi level for the (√3 x √3) R30°, Au/Si(111) surface also gives a good description of the images observed in STM experiments. First principles calculations are performed to study the electronic and structural properties of a series of Ti-base binary alloys TiFe, TiNi, TiPd, TiMo, and TiAu in the B2 structure.« less

Common electronic origin of superconductivity in (Li,Fe)OHFeSe bulk superconductor and single-layer FeSe/SrTiO3 films.

PubMed

Zhao, Lin; Liang, Aiji; Yuan, Dongna; Hu, Yong; Liu, Defa; Huang, Jianwei; He, Shaolong; Shen, Bing; Xu, Yu; Liu, Xu; Yu, Li; Liu, Guodong; Zhou, Huaxue; Huang, Yulong; Dong, Xiaoli; Zhou, Fang; Liu, Kai; Lu, Zhongyi; Zhao, Zhongxian; Chen, Chuangtian; Xu, Zuyan; Zhou, X J

2016-02-08

The mechanism of high-temperature superconductivity in the iron-based superconductors remains an outstanding issue in condensed matter physics. The electronic structure plays an essential role in dictating superconductivity. Recent revelation of distinct electronic structure and high-temperature superconductivity in the single-layer FeSe/SrTiO3 films provides key information on the role of Fermi surface topology and interface in inducing or enhancing superconductivity. Here we report high-resolution angle-resolved photoemission measurements on the electronic structure and superconducting gap of an FeSe-based superconductor, (Li0.84Fe0.16)OHFe0.98Se, with a Tc at 41 K. We find that this single-phase bulk superconductor shows remarkably similar electronic behaviours to that of the superconducting single-layer FeSe/SrTiO3 films in terms of Fermi surface topology, band structure and the gap symmetry. These observations provide new insights in understanding high-temperature superconductivity in the single-layer FeSe/SrTiO3 films and the mechanism of superconductivity in the bulk iron-based superconductors.

Observation of a two-dimensional Fermi surface and Dirac dispersion in YbMnSb2

NASA Astrophysics Data System (ADS)

Kealhofer, Robert; Jang, Sooyoung; Griffin, Sinéad M.; John, Caolan; Benavides, Katherine A.; Doyle, Spencer; Helm, T.; Moll, Philip J. W.; Neaton, Jeffrey B.; Chan, Julia Y.; Denlinger, J. D.; Analytis, James G.

2018-01-01

We present the crystal structure, electronic structure, and transport properties of the material YbMnSb2, a candidate system for the investigation of Dirac physics in the presence of magnetic order. Our measurements reveal that this system is a low-carrier-density semimetal with a two-dimensional Fermi surface arising from a Dirac dispersion, consistent with the predictions of density-functional-theory calculations of the antiferromagnetic system. The low temperature resistivity is very large, suggesting that scattering in this system is highly efficient at dissipating momentum despite its Dirac-like nature.

The half-filled Landau level: The case for Dirac composite fermions

NASA Astrophysics Data System (ADS)

Geraedts, Scott D.; Zaletel, Michael P.; Mong, Roger S. K.; Metlitski, Max A.; Vishwanath, Ashvin; Motrunich, Olexei I.

2016-04-01

In a two-dimensional electron gas under a strong magnetic field, correlations generate emergent excitations distinct from electrons. It has been predicted that “composite fermions”—bound states of an electron with two magnetic flux quanta—can experience zero net magnetic field and form a Fermi sea. Using infinite-cylinder density matrix renormalization group numerical simulations, we verify the existence of this exotic Fermi sea, but find that the phase exhibits particle-hole symmetry. This is self-consistent only if composite fermions are massless Dirac particles, similar to the surface of a topological insulator. Exploiting this analogy, we observe the suppression of 2kF backscattering, a characteristic of Dirac particles. Thus, the phenomenology of Dirac fermions is also relevant to two-dimensional electron gases in the quantum Hall regime.

Surface conduction of topological Dirac electrons in bulk insulating Bi2Se3

NASA Astrophysics Data System (ADS)

Fuhrer, Michael

2013-03-01

The three dimensional strong topological insulator (STI) is a new phase of electronic matter which is distinct from ordinary insulators in that it supports on its surface a conducting two-dimensional surface state whose existence is guaranteed by topology. I will discuss experiments on the STI material Bi2Se3, which has a bulk bandgap of 300 meV, much greater than room temperature, and a single topological surface state with a massless Dirac dispersion. Field effect transistors consisting of thin (3-20 nm) Bi2Se3 are fabricated from mechanically exfoliated from single crystals, and electrochemical and/or chemical gating methods are used to move the Fermi energy into the bulk bandgap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be ~60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se3, which will have implications for topological electronic devices operating at room temperature. As samples are made thinner, coherent coupling of the top and bottom topological surfaces is observed through the magnitude of the weak anti-localization correction to the conductivity, and, in the thinnest Bi2Se3 samples (~ 3 nm), in thermally-activated conductivity reflecting the opening of a bandgap.

de Haas–van Alphen study of role of 4 f electrons in antiferromagnetic CeZn 11 as compared to its nonmagnetic analog LaZn 11

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blake, S. F.; Hodovanets, H.; McCollam, A.

Here we present a de Haas–van Alphen study of the Fermi surface of the low-temperature antiferromagnet CeZn 11 and its nonmagnetic analog LaZn 11, measured by torque magnetometry up to fields of 33T and at temperatures down to 320 mK . Both systems possess similar de Haas–van Alphen frequencies, with three clear sets of features—ranging from 50 T to 4 kT —corresponding to three bands of a complex Fermi surface, with an expected fourth band also seen weakly in CeZn 11 . The effective masses of the charge carriers are very light (<1 m e) in LaZn 11 but amore » factor of 2–4 larger in CeZn 11, indicative of stronger electronic correlations. We perform detailed density functional theory (DFT) calculations for CeZn 11 and find that only DFT+ U calculations with U = 1.5 eV , which localize the 4 f states, provide a good match to the measured de Haas–van Alphen frequencies, once the presence of magnetic breakdown orbits is also considered. Finally, our study suggests that the Fermi surface of CeZn 11 is very close to that of LaZn 11 being dominated by Zn 3d , as the Ce 4 f states are localized and have little influence on its electronic structure, however, they are responsible for its magnetic order and contribute to enhance electronic correlations.« less

de Haas–van Alphen study of role of 4 f electrons in antiferromagnetic CeZn 11 as compared to its nonmagnetic analog LaZn 11

DOE PAGES

Blake, S. F.; Hodovanets, H.; McCollam, A.; ...

2016-12-02

Here we present a de Haas–van Alphen study of the Fermi surface of the low-temperature antiferromagnet CeZn 11 and its nonmagnetic analog LaZn 11, measured by torque magnetometry up to fields of 33T and at temperatures down to 320 mK . Both systems possess similar de Haas–van Alphen frequencies, with three clear sets of features—ranging from 50 T to 4 kT —corresponding to three bands of a complex Fermi surface, with an expected fourth band also seen weakly in CeZn 11 . The effective masses of the charge carriers are very light (<1 m e) in LaZn 11 but amore » factor of 2–4 larger in CeZn 11, indicative of stronger electronic correlations. We perform detailed density functional theory (DFT) calculations for CeZn 11 and find that only DFT+ U calculations with U = 1.5 eV , which localize the 4 f states, provide a good match to the measured de Haas–van Alphen frequencies, once the presence of magnetic breakdown orbits is also considered. Finally, our study suggests that the Fermi surface of CeZn 11 is very close to that of LaZn 11 being dominated by Zn 3d , as the Ce 4 f states are localized and have little influence on its electronic structure, however, they are responsible for its magnetic order and contribute to enhance electronic correlations.« less

Electronic structure and the van Hove singularity scenario in high-T(sub c)H(g)Ba2CuO(4+delta) superconductors

NASA Technical Reports Server (NTRS)

Agrawal, Bal K.; Agrawal, Savitri

1995-01-01

The electronic structure and the hole concentrations in the high Tc superconductor HgBa2CuO(4+delta) (delta = O, 1) has been investigated by employing a first principles full potential self-consistent LMTO method with the local density functional theory. The scalar relativistic effects have been considered. The hole concentrations of the Cu-d and O-p(x,y) orbitals are seen to be larger for the HgBaCuO5 system than those of the HgBaCuO4 solid. However, the van Hove singularity (vHs) induced Cu-d and O-p peak which is seen to lie comparatively away and above the Fermi level in the delta = 1 system shifts towards the Fermi level in the delta = 0 system. Thus, the superconducting behavior appears to originate from the occurrence of the vHs peak at the Fermi level. The Fermi surface nesting area in the delta = 0 compound is seen to be larger than in the delta = 1 compound. The calculation reveals that the increase in pressure on the crystal enhances the hole concentrations but without showing any optimum value, On the other hand, the vHs peak approaches to-wards the Fermi level with pressure and crosses the Fermi surface near V/Vo approximately equals 0.625 (V and Vo are the crystal volumes at high and normal pressures, respectively). Our calculated value of the bulk modulus equal to 0.626 Mbar predicts the occurrence of this crossover at about 24 GPa which is in complete agreement with the experimental value. At this pressure the compound has maximum nesting area and self-doped behavior.

Controlled finite momentum pairing and spatially varying order parameter in proximitized HgTe quantum wells

NASA Astrophysics Data System (ADS)

Hart, Sean; Ren, Hechen; Kosowsky, Michael; Ben-Shach, Gilad; Leubner, Philipp; Bruene, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; Halperin, Bertrand; Yacoby, Amir

Conventional s-wave superconductivity arises from singlet pairing of electrons with opposite Fermi momenta, forming Cooper pairs with zero net momentum. Recent studies have focused on coupling s-wave superconductors to systems with an unusual configuration of electronic spin and momentum at the Fermi surface, where the nature of the paired state can be modified and the system may even undergo a topological phase transition. Here we present measurements on Josephson junctions based on HgTe quantum wells coupled to aluminum or niobium superconductors, and subject to a magnetic field in the plane of the quantum well. We observe that the in-plane magnetic field modulates the Fraunhofer interference pattern, and that this modulation depends both on electron density and on the direction of the in-plane field with respect to the junction. However, the orientation of the junction with respect to the underlying crystal lattice does not impact the measurements. These findings suggest that spin-orbit coupling plays a role in the observed behavior, and that measurements of Josephson junctions in the presence of an in-plane field can elucidate the Fermi surface properties of the weak link material. NSF DMR-1206016; STC Center for Integrated Quantum Materials under NSF Grant No. DMR-1231319; NSF GRFP under Grant DGE1144152, Microsoft Corporation Project Q.

Generalized Stoner criterion and versatile spin ordering in two-dimensional spin-orbit coupled electron systems

NASA Astrophysics Data System (ADS)

Liu, Weizhe Edward; Chesi, Stefano; Webb, David; Zülicke, U.; Winkler, R.; Joynt, Robert; Culcer, Dimitrie

2017-12-01

Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of materials and has been the subject of considerable ongoing research and controversy. Here we demonstrate that interacting two-dimensional electron systems with strong spin-orbit coupling exhibit a variety of time reversal symmetry breaking phases with unconventional spin alignment. We first prove that a Stoner-type criterion can be formulated for the spin polarization response to an electric field, which predicts that the spin polarization susceptibility diverges at a certain value of the electron-electron interaction strength. The divergence indicates the possibility of unconventional ferromagnetic phases even in the absence of any applied electric or magnetic field. This leads us, in the second part of this work, to study interacting Rashba spin-orbit coupled semiconductors in equilibrium in the Hartree-Fock approximation as a generic minimal model. Using classical Monte Carlo simulations, we construct the complete phase diagram of the system as a function of density and spin-orbit coupling strength. It includes both an out-of-plane spin-polarized phase and in-plane spin-polarized phases with shifted Fermi surfaces and rich spin textures, reminiscent of the Pomeranchuk instability, as well as two different Fermi-liquid phases having one and two Fermi surfaces, respectively, which are separated by a Lifshitz transition. We discuss possibilities for experimental observation and useful application of these novel phases, especially in the context of electric-field-controlled macroscopic spin polarizations.

Lateral engineering of surface states - towards surface-state nanoelectronics.

PubMed

García de Abajo, F J; Cordón, J; Corso, M; Schiller, F; Ortega, J E

2010-05-01

Patterned metal surfaces can host electron quantum waves that display interference phenomena over distances of a few nanometres, thus providing excellent information carriers for future atomic-scale devices. Here we demonstrate that collimation and waveguiding of surface electrons can be realized in silver-induced strain dislocation networks on Cu(111) surfaces, as a conceptual proof-of-principle of surface-state nanoelectronics (SSNE). The Ag/Cu(111) system exhibits featured surface bands with gaps at the Fermi energy, which are basic requirements for a potential SSNE material. We establish a solid analogy between the behavior of surface-state electrons and surface plasmons in patterned metal surfaces, thus facilitating the transfer of existing knowledge on plasmonic structures to the new scenario presented by engineered electronic surface-state nanostructures, with the advantage of a 1000-fold reduction in wavelength and geometrical parameters.

Unconventional aspects of electronic transport in delafossite oxides

NASA Astrophysics Data System (ADS)

Daou, Ramzy; Frésard, Raymond; Eyert, Volker; Hébert, Sylvie; Maignan, Antoine

2017-12-01

The electronic transport properties of the delafossite oxides ? are usually understood in terms of two well-separated entities, namely the triangular ? and (? layers. Here, we review several cases among this extensive family of materials where the transport depends on the interlayer coupling and displays unconventional properties. We review the doped thermoelectrics based on ? and ?, which show a high-temperature recovery of Fermi-liquid transport exponents, as well as the highly anisotropic metals ?, ?, and ?, where the sheer simplicity of the Fermi surface leads to unconventional transport. We present some of the theoretical tools that have been used to investigate these transport properties and review what can and cannot be learned from the extensive set of electronic structure calculations that have been performed.

Electronic structures and superconductivity in LuTE2Si2 phases (TE = d-electron transition metal)

NASA Astrophysics Data System (ADS)

Samsel-Czekała, M.; Chajewski, G.; Wiśniewski, P.; Romanova, T.; Hackemer, A.; Gorzelniak, R.; Pikul, A. P.; Kaczorowski, D.

2018-05-01

In the course of our search for unconventional superconductors amidst the 1:2:2 phases, we have re-investigated the LuTE2Si2 compounds with TE = Fe, Co, Ni, Ru, Pd and Pt. In this paper, we present the results of our fully relativistic ab initio calculations of the band structures, performed using the full-potential local-orbital code. The theoretical data are supplemented by the results of low-temperature electrical transport and specific heat measurements performed down to 0.35 K. All the materials studied but LuPt2Si2 crystallize with the body-centered tetragonal ThCr2Si2-type structure (space group I4/mmm). Their Fermi surfaces exhibit a three-dimensional multi-band character. In turn, the Pt-bearing compound adopts the primitive tetragonal CaBe2Ge2-type structure (space group P4/nmm), and its Fermi surface consists of predominantly quasi-two-dimensional sheets. Bulk superconductivity was found only in LuPd2Si2 and LuPt2Si2 (independent of the structure type and dimensionality of the Fermi surface). The key superconducting characteristics indicate a fully-gapped BCS type character. Though the electronic structure of LuFe2Si2 closely resembles that of the unconventional superconductor YFe2Ge2, this Lu-based silicide exhibits neither superconductivity nor spin fluctuations at least down to 0.35 K.

Gold-induced nanowires on the Ge(100) surface yield a 2D and not a 1D electronic structure

NASA Astrophysics Data System (ADS)

de Jong, N.; Heimbuch, R.; Eliëns, S.; Smit, S.; Frantzeskakis, E.; Caux, J.-S.; Zandvliet, H. J. W.; Golden, M. S.

2016-06-01

Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, one-dimensional Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of controversy as to whether the Au-induced nanowires do indeed host exotic, 1D (one-dimensional) metallic states. In light of this debate, we report here a thorough study of the electronic properties of high quality nanowires formed at the Au/Ge(100) surface. The high-resolution ARPES data show the low-lying Au-induced electronic states to possess a dispersion relation that depends on two orthogonal directions in k space. Comparison of the E (kx,ky) surface measured using high-resolution ARPES to tight-binding calculations yields hopping parameters in the two different directions that differ by approximately factor of two. Additionally, by pinpointing the Au-induced surface states in the first, second, and third surface Brillouin zones and analyzing their periodicity in k||, the nanowire propagation direction seen clearly in STM can be imported into the ARPES data. We find that the larger of the two hopping parameters corresponds, in fact, to the direction perpendicular to the nanowires (tperp). This proves that the Au-induced electron pockets possess a two-dimensional, closed Fermi surface, and this firmly places the Au/Ge(100) nanowire system outside potential hosts of a Tomonaga-Luttinger liquid. We combine these ARPES data with scanning tunneling spectroscopic measurements of the spatially resolved electronic structure and find that the spatially straight—wirelike—conduction channels observed up to energies of order one electron volt below the Fermi level do not originate from the Au-induced states seen in the ARPES data. The former are rather more likely to be associated with bulk Ge states that are localized to the subsurface region. Despite our proof of the 2D (two-dimentional) nature of the Au-induced nanowire and subsurface Ge-related states, an anomalous suppression of the density of states at the Fermi level is observed in both the STS and ARPES data, and this phenomenon is discussed in the light of the effects of disorder.

Fractionalized Fermi liquid in a Kondo-Heisenberg model

DOE PAGES

Tsvelik, A. M.

2016-10-10

The Kondo-Heisenberg model is used as a controllable tool to demonstrate the existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. Here, I use a nonperturbative approach where the strongest interactions are taken into account by means of exact solution, and corrections are controllable. The resulting metallic state represents a fractionalized Fermi liquid where well defined quasiparticles coexist with gapped fractionalized collective excitations, in agreement with the general requirements formulated by T. Senthil et al. [Phys. Rev. Lett. 90, 216403 (2003)]. Furthermore, the system undergoes amore » phase transition to an ordered phase (charge density wave or superconducting), at the transition temperature which is parametrically small in comparison to the quasiparticle Fermi energy.« less

On the widths of Stokes lines in Raman scattering from molecules adsorbed at metal surfaces and in molecular conduction junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Yi, E-mail: yig057@ucsd.edu; Galperin, Michael, E-mail: migalperin@ucsd.edu; Nitzan, Abraham, E-mail: nitzan@post.tau.ac.il

Within a generic model we analyze the Stokes linewidth in surface enhanced Raman scattering (SERS) from molecules embedded as bridges in molecular junctions. We identify four main contributions to the off-resonant Stokes signal and show that under zero voltage bias (a situation pertaining also to standard SERS experiments) and at low bias junctions only one of these contributions is pronounced. The linewidth of this component is determined by the molecular vibrational relaxation rate, which is dominated by interactions with the essentially bosonic thermal environment when the relevant molecular electronic energy is far from the metal(s) Fermi energy(ies). It increases whenmore » the molecular electronic level is close to the metal Fermi level so that an additional vibrational relaxation channel due to electron-hole (eh) exciton in the molecule opens. Other contributions to the Raman signal, of considerably broader linewidths, can become important at larger junction bias.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Haoxiang; Zhou, Xiaoqing; Nummy, Thomas

Layered nickelates have the potential for exotic physics similar to high T C superconducting cuprates as they have similar crystal structures and these transition metals are neighbors in the periodic table. Here we present an angle-resolved photoemission spectroscopy (ARPES) study of the trilayer nickelate La 4Ni 3O 10 revealing its electronic structure and correlations, finding strong resemblances to the cuprates as well as a few key differences. We find a large hole Fermi surface that closely resembles the Fermi surface of optimally hole-doped cuprates, including its d x2-y2 orbital character, hole filling level, and strength of electronic correlations. However, inmore » contrast to cuprates, La 4Ni 3O 10 has no pseudogap in the d x2-y2 band, while it has an extra band of principally d 3z2-r2 orbital character, which presents a low temperature energy gap. Furthermore, these aspects drive the nickelate physics, with the differences from the cuprate electronic structure potentially shedding light on the origin of superconductivity in the cuprates.« less

Observation of topological nodal fermion semimetal phase in ZrSiS

DOE PAGES

Neupane, Madhab; Belopolski, Ilya; Hosen, M. Mofazzel; ...

2016-05-11

We present that unveiling new topological phases of matter is one of the current objectives in condensed matter physics. Recent experimental discoveries of Dirac and Weyl semimetals prompt the search for other exotic phases of matter. Here we present a systematic angle-resolved photoemission spectroscopy study of ZrSiS, a prime topological nodal semimetal candidate. Our wider Brillouin zone (BZ) mapping shows multiple Fermi surface pockets such as the diamond-shaped Fermi surface, elliptical-shaped Fermi surface, and a small electron pocket encircling at the zone center (Γ) point, the M point, and the X point of the BZ, respectively. We experimentally establish themore » spinless nodal fermion semimetal phase in ZrSiS, which is supported by our first-principles calculations. Our findings evidence that the ZrSiS-type of material family is a new platform on which to explore exotic states of quantum matter; these materials are expected to provide an avenue for engineering two-dimensional topological insulator systems.« less

Fermiology and electron dynamics of trilayer nickelate La 4Ni 3O 10

DOE PAGES

Li, Haoxiang; Zhou, Xiaoqing; Nummy, Thomas; ...

2017-09-26

Layered nickelates have the potential for exotic physics similar to high T C superconducting cuprates as they have similar crystal structures and these transition metals are neighbors in the periodic table. Here we present an angle-resolved photoemission spectroscopy (ARPES) study of the trilayer nickelate La 4Ni 3O 10 revealing its electronic structure and correlations, finding strong resemblances to the cuprates as well as a few key differences. We find a large hole Fermi surface that closely resembles the Fermi surface of optimally hole-doped cuprates, including its d x2-y2 orbital character, hole filling level, and strength of electronic correlations. However, inmore » contrast to cuprates, La 4Ni 3O 10 has no pseudogap in the d x2-y2 band, while it has an extra band of principally d 3z2-r2 orbital character, which presents a low temperature energy gap. Furthermore, these aspects drive the nickelate physics, with the differences from the cuprate electronic structure potentially shedding light on the origin of superconductivity in the cuprates.« less

Pair momentum distribution in Bi2Sr2CaCu2O(8+delta) measured by positron annihilation - Existence and nature of the Fermi surface

NASA Astrophysics Data System (ADS)

Chan, L. P.; Lynn, K. G.; Harshman, D. R.; Massidda, S.; Mitzi, D. B.

1991-09-01

The first measurement is reported of the position-electron momentum density in superconducting single-crystal Bi2Sr2CaCu2O(8+delta)(Tc roughly 90 K). The observed anisotropy exhibits a twofold (rather than fourfold) symmetry, which is attributed to the superlattice modulation along the b axis of the BiO2 layers. Subtraction of the superlattice contribution also reveals a pair momentum distribution consistent with the CuO2 and BiO2 Fermi surfaces, and in reasonable agreement with the theoretical pair momentum density derived from band theory.

Fermi Surface of Metallic V_{2}O_{3} from Angle-Resolved Photoemission: Mid-level Filling of e_{g}^{π} Bands.

PubMed

Lo Vecchio, I; Denlinger, J D; Krupin, O; Kim, B J; Metcalf, P A; Lupi, S; Allen, J W; Lanzara, A

2016-10-14

Using angle resolved photoemission spectroscopy, we report the first band dispersions and distinct features of the bulk Fermi surface (FS) in the paramagnetic metallic phase of the prototypical metal-insulator transition material V_{2}O_{3}. Along the c axis we observe both an electron pocket and a triangular holelike FS topology, showing that both V 3d a_{1g} and e_{g}^{π} states contribute to the FS. These results challenge the existing correlation-enhanced crystal field splitting theoretical explanation for the transition mechanism and pave the way for the solution of this mystery.

High-temperature cuprate superconductors studied by x-ray Compton scattering and positron annihilation spectroscopies

NASA Astrophysics Data System (ADS)

Barbiellini, Bernardo

2013-06-01

The bulk Fermi surface in an overdoped (x = 0.3) single crystal of La2-xSrxCuO4 has been observed by using x-ray Compton scattering. This momentum density technique also provides a powerful tool for directly seeing what the dopant Sr atoms are doing to the electronic structure of La2CuO4. Because of wave function effects, positron annihilation spectroscopy does not yield a strong signature of the Fermi surface in extended momentum space, but it can be used to explore the role of oxygen defects in the reservoir layers for promoting high temperature superconductivity.

Angular dependence of spin-orbit spin-transfer torques

NASA Astrophysics Data System (ADS)

Lee, Ki-Seung; Go, Dongwook; Manchon, Aurélien; Haney, Paul M.; Stiles, M. D.; Lee, Hyun-Woo; Lee, Kyung-Jin

2015-04-01

In ferromagnet/heavy-metal bilayers, an in-plane current gives rise to spin-orbit spin-transfer torque, which is usually decomposed into fieldlike and dampinglike torques. For two-dimensional free-electron and tight-binding models with Rashba spin-orbit coupling, the fieldlike torque acquires nontrivial dependence on the magnetization direction when the Rashba spin-orbit coupling becomes comparable to the exchange interaction. This nontrivial angular dependence of the fieldlike torque is related to the Fermi surface distortion, determined by the ratio of the Rashba spin-orbit coupling to the exchange interaction. On the other hand, the dampinglike torque acquires nontrivial angular dependence when the Rashba spin-orbit coupling is comparable to or stronger than the exchange interaction. It is related to the combined effects of the Fermi surface distortion and the Fermi sea contribution. The angular dependence is consistent with experimental observations and can be important to understand magnetization dynamics induced by spin-orbit spin-transfer torques.

Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference.

PubMed

Lin, Chun-Liang; Arafune, Ryuichi; Liu, Ro-Ya; Yoshimura, Masato; Feng, Baojie; Kawahara, Kazuaki; Ni, Zeyuan; Minamitani, Emi; Watanabe, Satoshi; Shi, Youguo; Kawai, Maki; Chiang, Tai-Chang; Matsuda, Iwao; Takagi, Noriaki

2017-11-28

Weyl semimetals (WSMs) are classified into two types, type I and II, according to the topology of the Weyl point, where the electron and hole pockets touch each other. Tungsten ditelluride (WTe 2 ) has garnered a great deal of attention as a strong candidate to be a type-II WSM. However, the Weyl points for WTe 2 are located above the Fermi level, which has prevented us from identifying the locations and the connection to the Fermi arc surface states by using angle-resolved photoemission spectroscopy. Here, we present experimental proof that WTe 2 is a type-II WSM. We measured energy-dependent quasiparticle interference patterns with a cryogenic scanning tunneling microscope, revealing the position of the Weyl point and its connection with the Fermi arc surface states, in agreement with prior theoretical predictions. Our results provide an answer to this crucial question and stimulate further exploration of the characteristics of WSMs.

Common electronic origin of superconductivity in (Li,Fe)OHFeSe bulk superconductor and single-layer FeSe/SrTiO3 films

PubMed Central

Zhao, Lin; Liang, Aiji; Yuan, Dongna; Hu, Yong; Liu, Defa; Huang, Jianwei; He, Shaolong; Shen, Bing; Xu, Yu; Liu, Xu; Yu, Li; Liu, Guodong; Zhou, Huaxue; Huang, Yulong; Dong, Xiaoli; Zhou, Fang; Liu, Kai; Lu, Zhongyi; Zhao, Zhongxian; Chen, Chuangtian; Xu, Zuyan; Zhou, X. J.

2016-01-01

The mechanism of high-temperature superconductivity in the iron-based superconductors remains an outstanding issue in condensed matter physics. The electronic structure plays an essential role in dictating superconductivity. Recent revelation of distinct electronic structure and high-temperature superconductivity in the single-layer FeSe/SrTiO3 films provides key information on the role of Fermi surface topology and interface in inducing or enhancing superconductivity. Here we report high-resolution angle-resolved photoemission measurements on the electronic structure and superconducting gap of an FeSe-based superconductor, (Li0.84Fe0.16)OHFe0.98Se, with a Tc at 41 K. We find that this single-phase bulk superconductor shows remarkably similar electronic behaviours to that of the superconducting single-layer FeSe/SrTiO3 films in terms of Fermi surface topology, band structure and the gap symmetry. These observations provide new insights in understanding high-temperature superconductivity in the single-layer FeSe/SrTiO3 films and the mechanism of superconductivity in the bulk iron-based superconductors. PMID:26853801

Inverse Perovskites - A New Platform For 3D Dirac Electron Physics

NASA Astrophysics Data System (ADS)

Rost, A. W.; Kim, J.; Shota, S.; Hayama, K.; Abdolazimi, V.; Bruin, J. A. N.; Muehle, C.; Schnyder, A.; Yaresko, A. N.; Nuss, J.; Takagi, H.

3D Dirac semimetals show a wealth of phenomena including ultrahigh mobility, extreme transverse magnetoresistance and potential for negative longitudinal magnetoresistance. Furthermore, by introducing a gap these are often found to be topological crystalline insulators. Here, I will introduce our experiments on a new family of 3D Dirac materials - the inverse perovskites A3BO (A =Ca,Sr,Eu/B =Pb,Sn). These open up the possibility to chemically control the properties of Dirac electrons including (i) the anisotropy of the Dirac dispersion, (ii) role of spin orbit coupling, and (iii) magnetism. Our physical property measurements show all (Ca/Sr)3(Pb/Sn)O compounds host Dirac electrons at the Fermi energy with no other bands crossing EF. Quantum oscillations unveil small Fermi surfaces (frequencies <5 T) and light carriers (<0.02 me) only consistent with Dirac electrons. With the successful synthesis of Sr3Pb0.5Sn0.5O this group of materials therefore offers a unique chemical control over the physical properties of 3D Dirac electrons. Crucially, Eu3(Pb/Sn)O compounds allow for the introduction of magnetism. I will discuss the implications of this in particular with respect to surface states in these topological crystalline insulators.

Electron affinity and surface states of GaN m -plane facets: Implication for electronic self-passivation

NASA Astrophysics Data System (ADS)

Portz, V.; Schnedler, M.; Eisele, H.; Dunin-Borkowski, R. E.; Ebert, Ph.

2018-03-01

The electron affinity and surface states are of utmost importance for designing the potential landscape within (heterojunction) nanowires and hence for tuning conductivity and carrier lifetimes. Therefore, we determined for stoichiometric nonpolar GaN (10 1 ¯0 ) m -plane facets, i.e., the dominating sidewalls of GaN nanowires, the electron affinity to 4.06 ±0.07 eV and the energy of the empty Ga-derived surface state in the band gap to 0.99 ±0.08 eV below the conduction band minimum using scanning tunneling spectroscopy. These values imply that the potential landscape within GaN nanowires is defined by a surface state-induced Fermi-level pinning, creating an upward band bending at the sidewall facets, which provides an electronic passivation.

Electronic and spin structure of the wide-band-gap topological insulator: Nearly stoichiometric Bi2Te2S

NASA Astrophysics Data System (ADS)

Annese, E.; Okuda, T.; Schwier, E. F.; Iwasawa, H.; Shimada, K.; Natamane, M.; Taniguchi, M.; Rusinov, I. P.; Eremeev, S. V.; Kokh, K. A.; Golyashov, V. A.; Tereshchenko, O. E.; Chulkov, E. V.; Kimura, A.

2018-05-01

We have grown the phase-homogeneous ternary compound with composition Bi2Te1.85S1.15 very close to the stoichiometric Bi2Te2S . The measurements performed with spin- and angle-resolved photoelectron spectroscopy as well as density functional theory and G W calculations revealed a wide-band-gap three-dimensional topological insulator phase. The surface electronic spectrum is characterized by the topological surface state (TSS) with Dirac point located above the valence band and Fermi level lying in the band gap. TSS band dispersion and constant energy contour manifest a weak warping effect near the Fermi level along with in-plane and out-of-plane spin polarization along the Γ ¯-K ¯ line. We identified four additional states at deeper binding energies with high in-plane spin polarization.

Electronic Structure of ABC-stacked Multilayer Graphene and Trigonal Warping:A First Principles Calculation

NASA Astrophysics Data System (ADS)

Yelgel, Celal

2016-04-01

We present an extensive density functional theory (DFT) based investigation of the electronic structures of ABC-stacked N-layer graphene. It is found that for such systems the dispersion relations of the highest valence and the lowest conduction bands near the K point in the Brillouin zone are characterised by a mixture of cubic, parabolic, and linear behaviours. When the number of graphene layers is increased to more than three, the separation between the valence and conduction bands decreases up until they touch each other. For five and six layer samples these bands show flat behaviour close to the K point. We note that all states in the vicinity of the Fermi energy are surface states originated from the top and/or bottom surface of all the systems considered. For the trilayer system, N = 3, pronounced trigonal warping of the bands slightly above the Fermi level is directly obtained from DFT calculations.

Bulk Fermi surface and electronic properties of Cu0.07Bi2Se3

NASA Astrophysics Data System (ADS)

Martin, C.; Craciun, V.; Miller, K. H.; Uzakbaiuly, B.; Buvaev, S.; Berger, H.; Hebard, A. F.; Tanner, D. B.

2013-05-01

The electronic properties of Cu0.07Bi2Se3 have been investigated using Shubnikov-de Haas and optical reflectance measurements. Quantum oscillations reveal a bulk, three-dimensional Fermi surface with anisotropy kFc/kFab≈ 2 and a modest increase in free-carrier concentration and in scattering rate with respect to the undoped Bi2Se3, also confirmed by reflectivity data. The effective mass is almost identical to that of Bi2Se3. Optical conductivity reveals a strong enhancement of the bound impurity bands with Cu addition, suggesting that a significant number of Cu atoms enter the interstitial sites between Bi and Se layers or may even substitute for Bi. This conclusion is also supported by x-ray diffraction measurements, where a significant increase of microstrain was found in Cu0.07Bi2Se3, compared to Bi2Se3.

Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

PubMed

Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

2018-02-14

We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

Nonadiabatic dynamics of electron scattering from adsorbates in surface bands

NASA Astrophysics Data System (ADS)

Gumhalter, Branko; Šiber, Antonio; Buljan, Hrvoje; Fauster, Thomas

2008-10-01

We present a comparative study of nonadiabatic dynamics of electron scattering in quasi-two-dimensional surface band which is induced by the long-range component of the interactions with a random array of adsorbates. Using three complementary model descriptions of intraband spatiotemporal propagation of quasiparticles that go beyond the single-adsorbate scattering approach we are able to identify distinct subsequent regimes of evolution of an electron following its promotion into an unoccupied band state: (i) early quadratic or ballistic decay of the initial-state survival probability within the Heisenberg uncertainty window, (ii) preasymptotic exponential decay governed by the self-consistent Fermi golden rule scattering rate, and (iii) asymptotic decay described by a combined inverse power-law and logarithmic behavior. The developed models are applied to discuss the dynamics of intraband adsorbate-induced scattering of hot electrons excited into the n=1 image-potential band on Cu(100) surface during the first stage of a two-photon photoemission process. Estimates of crossovers between the distinct evolution regimes enable assessments of the lifespan of a standard quasiparticle behavior and thereby of the range of applicability of the widely used Fermi golden rule and optical Bloch equations approach for description of adsorbate-induced quasiparticle decay and dephasing in ultrafast experiments.

Bulk Fermi surface of the Weyl type-II semimetallic candidate γ - MoTe 2

DOE PAGES

Rhodes, D.; Schönemann, R.; Aryal, N.; ...

2017-10-17

The electronic structure of semi-metallic transition-metal dichalcogenides, such as WTemore » $$_2$$ and orthorhombic $$\\gamma-$$MoTe$$_2$$, are claimed to contain pairs of Weyl points or linearly touching electron and hole pockets associated with a non-trivial Chern number. For this reason, these compounds were recently claimed to conform to a new class, deemed type-II, of Weyl semi-metallic systems. A series of angle resolved photoemission experiments (ARPES) claim a broad agreement with these predictions detecting, for example, topological Fermi arcs at the surface of these crystals. We synthesized single-crystals of semi-metallic MoTe$$_2$$ through a Te flux method to validate these predictions through measurements of its bulk Fermi surface (FS) via quantum oscillatory phenomena. We find that the superconducting transition temperature of $$\\gamma-$$MoTe$$_2$$ depends on disorder as quantified by the ratio between the room- and low-temperature resistivities, suggesting the possibility of an unconventional superconducting pairing symmetry. Similarly to WTe$$_2$$, the magnetoresistivity of $$\\gamma-$$MoTe$$_2$$ does not saturate at high magnetic fields and can easily surpass $$10^{6}$$ \\%. Remarkably, the analysis of the de Haas-van Alphen (dHvA) signal superimposed onto the magnetic torque, indicates that the geometry of its FS is markedly distinct from the calculated one. The dHvA signal also reveals that the FS is affected by the Zeeman-effect precluding the extraction of the Berry-phase. A direct comparison between the previous ARPES studies and density-functional-theory (DFT) calculations reveals a disagreement in the position of the valence bands relative to the Fermi level $$\\varepsilon_F$$. Here in this paper, we show that a shift of the DFT valence bands relative to $$\\varepsilon_F$$, in order to match the ARPES observations, and of the DFT electron bands to explain some of the observed dHvA frequencies, leads to a good agreement between the calculations and the angular dependence of the FS cross-sectional areas observed experimentally. However, this relative displacement between electron- and hole-bands eliminates their crossings and, therefore, the Weyl type-II points predicted for $$\\gamma-$$MoTe$$_2$$« less

Bulk Fermi surface of the Weyl type-II semimetallic candidate γ -MoTe2

NASA Astrophysics Data System (ADS)

Rhodes, D.; Schönemann, R.; Aryal, N.; Zhou, Q.; Zhang, Q. R.; Kampert, E.; Chiu, Y.-C.; Lai, Y.; Shimura, Y.; McCandless, G. T.; Chan, J. Y.; Paley, D. W.; Lee, J.; Finke, A. D.; Ruff, J. P. C.; Das, S.; Manousakis, E.; Balicas, L.

2017-10-01

The electronic structure of semimetallic transition-metal dichalcogenides, such as WTe2 and orthorhombic γ -MoTe2 , are claimed to contain pairs of Weyl points or linearly touching electron and hole pockets associated with a nontrivial Chern number. For this reason, these compounds were recently claimed to conform to a new class, deemed type-II, of Weyl semimetallic systems. A series of angle-resolved photoemission experiments (ARPES) claim a broad agreement with these predictions detecting, for example, Fermi arcs at the surface of these crystals. We synthesized single crystals of semimetallic MoTe2 through a Te flux method to validate these predictions through measurements of its bulk Fermi surface (FS) via quantum oscillatory phenomena. We find that the superconducting transition temperature of γ -MoTe2 depends on disorder as quantified by the ratio between the room- and low-temperature resistivities, suggesting the possibility of an unconventional superconducting pairing symmetry. Similarly to WTe2, the magnetoresistivity of γ -MoTe2 does not saturate at high magnetic fields and can easily surpass 106%. Remarkably, the analysis of the de Haas-van Alphen (dHvA) signal superimposed onto the magnetic torque indicates that the geometry of its FS is markedly distinct from the calculated one. The dHvA signal also reveals that the FS is affected by the Zeeman effect precluding the extraction of the Berry phase. A direct comparison between the previous ARPES studies and density-functional-theory (DFT) calculations reveals a disagreement in the position of the valence bands relative to the Fermi level ɛF. Here, we show that a shift of the DFT valence bands relative to ɛF, in order to match the ARPES observations, and of the DFT electron bands to explain some of the observed dHvA frequencies, leads to a good agreement between the calculations and the angular dependence of the FS cross-sectional areas observed experimentally. However, this relative displacement between electron and hole bands eliminates their crossings and, therefore, the Weyl type-II points predicted for γ -MoTe2 .

Detecting Fermi-level shifts by Auger electron spectroscopy in Si and GaAs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Debehets, J.; Homm, P.; Menghini, M.

In this paper, changes in surface Fermi-level of Si and GaAs, caused by doping and cleaning, are investigated by Auger electron spectroscopy. Based on the Auger voltage contrast, we compared the Auger transition peak energy but with higher accuracy by using a more accurate detector and an improved peak position determination method. For silicon, a peak shift as large as 0.46 eV was detected when comparing a cleaned p-type and n-type wafer, which corresponds rather well with the theoretical difference in Fermi-level. If no cleaning was applied, the peak position did not differ significantly for both wafer types, indicating Fermi-levelmore » pinning in the band gap. For GaAs, peak shifts were detected after cleaning with HF and (NH4)2S-solutions in an inert atmosphere (N2-gas). Although the (NH4)2S-cleaning in N2 is very efficient in removing the oxygen from the surface, the observed Ga- and As-peak shifts are smaller than those obtained after the HF-cleaning. It is shown that the magnitude of the shift is related to the surface composition. After Si-deposition on the (NH4)2S-cleaned surface, the Fermi-level shifts back to a similar position as observed for an as-received wafer, indicating that this combination is not successful in unpinning the Fermi-level of GaAs. This work has been funded by J.D.'s PhD fellowship of the Fund of Scientific Research-Flanders (FWO-V) (Dossier No. 11U4516N). P.H. acknowledges support from Becas Chile-CONICYT. This research was also supported by the FWO Odysseus Program, the Belgian Hercules Stichting with the Project No. Her/08/25 and AKUL/13/19 and the KU Leuven project GOA "Fundamental challenges in Semiconductor Research". The authors would also like to thank Bastiaan Opperdoes and Ludwig Henderix for technical support. The work was supported by the U.S. Department of Energy (USDOE), Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, and performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). Battelle operates PNNL for the USDOE under contract DE-AC05-76RL01830.« less

Adler Award Lecture: Fermi-Liquid Instabilities in Strongly Correlated f-Electron Materials.^*

NASA Astrophysics Data System (ADS)

Maple, M. Brian

1996-03-01

Strongly correlated f-electron materials are replete with novel electronic states and phenomena ; e. g. , a metallic ``heavy electron'' state with a quasiparticle effective mass of several hundred times the free electron mass, anisotropic superconductivity with an energy gap that may vanish at points or along lines on the Fermi surface, the coexistence of superconductivity and antiferromagnetism over different parts of the Fermi surface, multiple superconducting phases in the hyperspace of chemical composition, temperature, pressure, and magnetic field, and an insulating phase, in so-called ``hybridization gap semiconductors'' or ``Kondo insulators'', with a small energy gap of only a few meV. During the last several years, a new low temperature non-Fermi-liquid (NFL) state has been observed in a new class of strongly correlated f-electron materials which currently consists of certain Ce and U intermetallics into which a nonmagnetic element has been substituted.(M. B. Maple et al./) , J. Low Temp. Phys. 99 , 223 (1995). The Ce and U ions have partially-filled f-electron shells and carry magnetic dipole or electric quadrupole moments which interact with the spins and charges of the conduction electrons and can participate in magnetic or quadrupolar ordering at low temperatures. The physical properties of these materials exhibit weak power law or logarithmic divergences in temperature and suggest the existence of a critical point at T=0 K. Possible origins of the 0 K critical point include an unconventional moment compensation process, such as a multichannel Kondo effect, and fluctuations of the order parameter in the vicinity of a 0 K second order phase transition. In some systems, such as Y_1-xU_xPd 3 and U_1-xTh_xPd _2Al 3 , the NFL characteristics appear to be single ion effects since they persist to low concentrations of f-moments, whereas in other systems, such as CeCu _5.9Au _0.1 , the NFL behavior seems to be associated with interactions between the f-moments. In this talk, we review recent experimental efforts to determine the characteristics, establish the systematics, and develop an understanding of NFL behavior in f-electron materials. \\vspace*3mm ^* Research supported by the U.S. National Science Foundation under Grant No. DMR-94-08835 and the U.S. Department of Energy under Grant No. DE-FG03-86ER45230.

Anisotropic Fermi surface and quantum limit transport in high mobility three-dimensional Dirac semimetal Cd 3As 2

DOE PAGES

Zhao, Yanfei; Liu, Haiwen; Zhang, Chenglong; ...

2015-09-16

Three-dimensional (3D) topological Dirac semimetals have a linear dispersion in the 3D momentum space and are viewed as the 3D analogues of graphene. Here, we report angle dependent magnetotransport on the newly revealed Cd 3As 2 single crystals and clearly show how the Fermi surface evolves with crystallographic orientations. Remarkably, when the magnetic field lies in [112] or [44more » $$\\bar{1}$$] axis, magnetoresistance oscillations with only single period are present. However, the oscillation shows double periods when the field is applied along [1$$\\bar{1}$$0] direction. Moreover, aligning the magnetic field at certain directions also gives rise to double period oscillations. We attribute the observed anomalous oscillation behavior to the sophisticated geometry of Fermi surface and illustrate a complete 3D Fermi surfaces with two nested anisotropic ellipsoids around the Dirac points. Additionally, a sub-millimeter mean free path at 6 K is found in Cd 3As 2 crystals, indicating ballistic transport in this material. By measuring the magnetoresistance up to 60 T, we reach the quantum limit (n = 1 Landau level) at about 43 T. Lastly, these results improve the knowledge of the Dirac semimetal material Cd 3As 2, and also pave the way for proposing new electronic applications based on 3D Dirac materials.« less

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H -TaS2

NASA Astrophysics Data System (ADS)

Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

2017-09-01

We report an in-depth angle-resolved photoemission spectroscopy study on 2 H -TaS2 , a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2 H -TaSe2 and 2 H -NbSe2 , the energy gap (ΔCDW) of 2 H -TaS2 is localized along the K -centered Fermi surface barrels and is particle-hole asymmetric. The persistence of ΔCDW even at temperatures higher than the CDW transition temperature TCDW in 2 H -TaS2 , reflects the similar pseudogap behavior observed previously in 2 H -TaSe2 and 2 H -NbSe2 . However, in sharp contrast to 2 H -NbSe2 , where ΔCDW is nonzero only in the vicinity of a few "hot spots" on the inner K -centered Fermi surface barrels, ΔCDW in 2 H -TaS2 is nonzero along the entirety of both K -centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of ΔCDW between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

Reduction of electron accumulation at InN(0001) surfaces via saturation of surface states by potassium and oxygen as donor- or acceptor-type adsorbates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eisenhardt, A.; Reiß, S.; Krischok, S., E-mail: stefan.krischok@tu-ilmenau.de

2014-01-28

The influence of selected donor- and acceptor-type adsorbates on the electronic properties of InN(0001) surfaces is investigated implementing in-situ photoelectron spectroscopy. The changes in work function, surface band alignment, and chemical bond configurations are characterized during deposition of potassium and exposure to oxygen. Although an expected opponent charge transfer characteristic is observed with potassium donating its free electron to InN, while dissociated oxygen species extract partial charge from the substrate, a reduction of the surface electron accumulation occurs in both cases. This observation can be explained by adsorbate-induced saturation of free dangling bonds at the InN resulting in the disappearancemore » of surface states, which initially pin the Fermi level and induce downward band bending.« less

Two-dimensional Fermi surfaces in Kondo insulating SmB6

NASA Astrophysics Data System (ADS)

Li, Gang

There has been renewed interest in Samarium Hexaboride, which is a strongly correlated heavy Fermion material. Hybridization between itinerant electrons and localized orbitals lead to an opening of charge gap at low temperature. However, the resistivity of SmB6 does not diverge at low temperature. Former studies suggested that this residual conductance is contributed by various origins. Recent theoretical developments suggest that the particular symmetry of energy bands of SmB6 may host a topologically non-trivial surface state, i.e., a topological Kondo insulator. To probe the Fermiology of the possible metallic surface state, we use sensitive torque magnetometry to detect the de Haas van Alphen (dHvA) effect due to Landau level quantization on flux-grown crystals, down to He-3 temperature and up to 45 Tesla. Our angular and temperature dependent data suggest two-dimensional Fermi Surfaces lie in both crystalline (001) and (101) surface planes of SmB6.

Pseudogap-generated a coexistence of Fermi arcs and Fermi pockets in cuprate superconductors

NASA Astrophysics Data System (ADS)

Zhao, Huaisong; Gao, Deheng; Feng, Shiping

2017-03-01

One of the most intriguing puzzle is why there is a coexistence of Fermi arcs and Fermi pockets in the pseudogap phase of cuprate superconductors? This puzzle is calling for an explanation. Based on the t - J model in the fermion-spin representation, the coexistence of the Fermi arcs and Fermi pockets in cuprate superconductors is studied by taking into account the pseudogap effect. It is shown that the pseudogap induces an energy band splitting, and then the poles of the electron Green's function at zero energy form two contours in momentum space, however, the electron spectral weight on these two contours around the antinodal region is gapped out by the pseudogap, leaving behind the low-energy electron spectral weight only located at the disconnected segments around the nodal region. In particular, the tips of these disconnected segments converge on the hot spots to form the closed Fermi pockets, generating a coexistence of the Fermi arcs and Fermi pockets. Moreover, the single-particle coherent weight is directly related to the pseudogap, and grows linearly with doping. The calculated result of the overall dispersion of the electron excitations is in qualitative agreement with the experimental data. The theory also predicts that the pseudogap-induced peak-dip-hump structure in the electron spectrum is absent from the hot-spot directions.

Surface structure of neutron stars with high magnetic fields

NASA Technical Reports Server (NTRS)

Fushiki, I.; Gudmundsson, E. H.; Pethick, C. J.

1989-01-01

The equation of state of cold dense matter in strong magnetic fields is calculated in the Thomas-Fermi and Thomas-Fermi-Dirac approximations. For use in the latter calculation, a new expression is derived for the exchange energy of the uniform electron gas in a strong magnetic field. Detailed calculations of the density profile in the surface region of a neutron star are described for a variety of equations of state, and these show that the surface density profile is strongly affected by the magnetic field, irrespective of whether or not matter in a magnetic field has a condensed state bound with respect to isolated atoms. It is also shown that, as a consequence of the field dependence of the screening potential, magnetic fields can significantly increase nuclear reaction rates.

Fermi surface in the absence of a Fermi liquid in the Kondo insulator SmB6

NASA Astrophysics Data System (ADS)

Hartstein, M.; Toews, W. H.; Hsu, Y.-T.; Zeng, B.; Chen, X.; Hatnean, M. Ciomaga; Zhang, Q. R.; Nakamura, S.; Padgett, A. S.; Rodway-Gant, G.; Berk, J.; Kingston, M. K.; Zhang, G. H.; Chan, M. K.; Yamashita, S.; Sakakibara, T.; Takano, Y.; Park, J.-H.; Balicas, L.; Harrison, N.; Shitsevalova, N.; Balakrishnan, G.; Lonzarich, G. G.; Hill, R. W.; Sutherland, M.; Sebastian, Suchitra E.

2018-02-01

The search for a Fermi surface in the absence of a conventional Fermi liquid has thus far yielded very few potential candidates. Among promising materials are spin-frustrated Mott insulators near the insulator-metal transition, where theory predicts a Fermi surface associated with neutral low-energy excitations. Here we reveal another route to experimentally realize a Fermi surface in the absence of a Fermi liquid by the experimental study of a Kondo insulator SmB6 positioned close to the insulator-metal transition. We present experimental signatures down to low temperatures (<<1 K) associated with a Fermi surface in the bulk, including a sizeable linear specific heat coefficient, and on the application of a finite magnetic field, bulk magnetic quantum oscillations, finite quantum oscillatory entropy, and substantial enhancement in thermal conductivity well below the charge gap energy scale. Thus, the weight of evidence indicates that despite an extreme instance of Fermi liquid breakdown in Kondo insulating SmB6, a Fermi surface arises from novel itinerant low-energy excitations that couple to magnetic fields, but not weak DC electric fields.

Fermi arc electronic structure and Chern numbers in the type-II Weyl semimetal candidate Mo x W 1 - x Te 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belopolski, Ilya; Xu, Su-Yang; Ishida, Yukiaki

2016-08-15

It has recently been proposed that electronic band structures in crystals can give rise to a previously overlooked type of Weyl fermion, which violates Lorentz invariance and, consequently, is forbidden in particle physics. It was further predicted that Mo x W 1 - x Te 2 may realize such a type-II Weyl fermion. Here, we first show theoretically that it is crucial to access the band structure above the Fermi level ε F to show a Weyl semimetal in Mo x W 1 - x Te 2 . Then, we study Mo x W 1 - x Te 2 bymore » pump-probe ARPES and we directly access the band structure > 0.2 eV above ε F in experiment. By comparing our results with ab initio calculations, we conclude that we directly observe the surface state containing the topological Fermi arc. We propose that a future study of Mo x W 1 - x Te 2 by pump-probe ARPES may directly pinpoint the Fermi arc. Our work sets the stage for the experimental discovery of the first type-II Weyl semimetal in Mo x W 1 - x Te 2 .« less

Number of holes contained within the Fermi surface volume in underdoped high-temperature superconductors

DOE PAGES

Harrison, Neil

2016-08-16

Here, we provide a potential solution to the longstanding problem relating Fermi surface reconstruction to the number of holes contained within the Fermi surface volume in underdoped high T c superconductors. On considering uniaxial and biaxial charge-density wave order, we show that there exists a relationship between the ordering wave vector, the hole doping, and the cross-sectional area of the reconstructed Fermi surface whose precise form depends on the volume of the starting Fermi surface. We consider a “large” starting Fermi surface comprising 1+p hole carriers, as predicted by band structure calculations, and a “small” starting Fermi surface comprising pmore » hole carriers, as proposed in models in which the Coulomb repulsion remains the dominant energy. Using the reconstructed Fermi surface cross-sectional area obtained in quantum oscillation experiments in YBa 2Cu 3O 6+x and HgBa 2CuO 4+x and the established methods for estimating the chemical hole doping, we find the ordering vectors obtained from x-ray scattering measurements to show a close correspondence with those expected for the small starting Fermi surface. We therefore show the quantum oscillation frequency and charge-density wave vectors provide accurate estimates for the number of holes contributing to the Fermi surface volume in the pseudogap regime.« less

Number of holes contained within the Fermi surface volume in underdoped high-temperature superconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harrison, Neil

Here, we provide a potential solution to the longstanding problem relating Fermi surface reconstruction to the number of holes contained within the Fermi surface volume in underdoped high T c superconductors. On considering uniaxial and biaxial charge-density wave order, we show that there exists a relationship between the ordering wave vector, the hole doping, and the cross-sectional area of the reconstructed Fermi surface whose precise form depends on the volume of the starting Fermi surface. We consider a “large” starting Fermi surface comprising 1+p hole carriers, as predicted by band structure calculations, and a “small” starting Fermi surface comprising pmore » hole carriers, as proposed in models in which the Coulomb repulsion remains the dominant energy. Using the reconstructed Fermi surface cross-sectional area obtained in quantum oscillation experiments in YBa 2Cu 3O 6+x and HgBa 2CuO 4+x and the established methods for estimating the chemical hole doping, we find the ordering vectors obtained from x-ray scattering measurements to show a close correspondence with those expected for the small starting Fermi surface. We therefore show the quantum oscillation frequency and charge-density wave vectors provide accurate estimates for the number of holes contributing to the Fermi surface volume in the pseudogap regime.« less

Large optical conductivity of Dirac semimetal Fermi arc surface states

NASA Astrophysics Data System (ADS)

Shi, Li-kun; Song, Justin C. W.

2017-08-01

Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light-matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persists as a large Drude weight of Fermi arc carriers when the system is doped. As a result, large and anisotropic Fermi arc conductivity provides a novel means of optically interrogating the topological surfaces states of Dirac semimetals.

Observation of universal strong orbital-dependent correlation effects in iron chalcogenides

DOE PAGES

Yi, M.; Liu, Z. -K.; Zhang, Y.; ...

2015-07-23

Establishing the appropriate theoretical framework for unconventional superconductivity in the iron-based materials requires correct understanding of both the electron correlation strength and the role of Fermi surfaces. This fundamental issue becomes especially relevant with the discovery of the iron chalcogenide superconductors. Here, we use angle-resolved photoemission spectroscopy to measure three representative iron chalcogenides, FeTe 0.56Se 0.44, monolayer FeSe grown on SrTiO 3 and K 0.76Fe 1.72Se 2. We show that these superconductors are all strongly correlated, with an orbital-selective strong renormalization in the dxy bands despite having drastically different Fermi surface topologies. Furthermore, raising temperature brings all three compounds frommore » a metallic state to a phase where the dxy orbital loses all spectral weight while other orbitals remain itinerant. As a result, these observations establish that iron chalcogenides display universal orbital-selective strong correlations that are insensitive to the Fermi surface topology, and are close to an orbital-selective Mott phase, hence placing strong constraints for theoretical understanding of iron-based superconductors.« less

Observation of universal strong orbital-dependent correlation effects in iron chalcogenides

PubMed Central

Yi, M.; Liu, Z-K; Zhang, Y.; Yu, R.; Zhu, J.-X.; Lee, J.J.; Moore, R.G.; Schmitt, F.T.; Li, W.; Riggs, S.C.; Chu, J.-H.; Lv, B.; Hu, J.; Hashimoto, M.; Mo, S.-K.; Hussain, Z.; Mao, Z.Q.; Chu, C.W.; Fisher, I.R.; Si, Q.; Shen, Z.-X.; Lu, D.H.

2015-01-01

Establishing the appropriate theoretical framework for unconventional superconductivity in the iron-based materials requires correct understanding of both the electron correlation strength and the role of Fermi surfaces. This fundamental issue becomes especially relevant with the discovery of the iron chalcogenide superconductors. Here, we use angle-resolved photoemission spectroscopy to measure three representative iron chalcogenides, FeTe0.56Se0.44, monolayer FeSe grown on SrTiO3 and K0.76Fe1.72Se2. We show that these superconductors are all strongly correlated, with an orbital-selective strong renormalization in the dxy bands despite having drastically different Fermi surface topologies. Furthermore, raising temperature brings all three compounds from a metallic state to a phase where the dxy orbital loses all spectral weight while other orbitals remain itinerant. These observations establish that iron chalcogenides display universal orbital-selective strong correlations that are insensitive to the Fermi surface topology, and are close to an orbital-selective Mott phase, hence placing strong constraints for theoretical understanding of iron-based superconductors. PMID:26204461

Split Fermi Surfaces of the Spin-Orbit-Coupled Metal Cd2Re2O7 Probed by de Haas-van Alphen Effect

NASA Astrophysics Data System (ADS)

Matsubayashi, Yasuhito; Sugii, Kaori; Hirose, Hishiro T.; Hirai, Daigorou; Sugiura, Shiori; Terashima, Taichi; Uji, Shinya; Hiroi, Zenji

2018-05-01

The superconducting pyrochlore oxide Cd2Re2O7 shows a structural transition with inversion symmetry breaking (ISB) at Ts1 = 200 K. A recent theory [L. Fu, Phys. Rev. Lett. 115, 026401 (2015)] suggests that the origin is an electronic instability that leads to a multipolar order in the spin-orbit-coupled metal. To observe the Fermi surface of the low-temperature phase of Cd2Re2O7, we perform de Haas-van Alphen effect measurements by means of magnetic torque. In reference to a calculated band structure, the spin-split Fermi surfaces with large cyclotron masses of 5-9m0 are revealed. The splitting is suggested to be due to an antisymmetric spin-orbit coupling induced by ISB, the strength of which is estimated to be approximately 67 K, which is rather smaller than those of typical non-centrosymmetric metals.

Electronic structure and magnetic ordering in manganese hydride

NASA Astrophysics Data System (ADS)

Magnitskaya, M. V.; Kulikov, N. I.

1991-03-01

The self-consistent electron energy bands of antiferromagnetic (AFM) and non-magnetic manganese hydride are calculated using the linear muffintin orbital method (LMTO). The calculated values of equilibrium volume and of magnetic moment on the manganese site are in good agreement with experiment. The Fermi surface of paramagnetic MnH contains two nesting parts, and their superposition gives rise to AFM gap.

On Scaling Relations of Organic Antiferromagnets with Magnetic Anions

NASA Astrophysics Data System (ADS)

Shimahara, Hiroshi; Kono, Yuki

2017-04-01

We study a recently reported scaling relation of the specific heat of the organic compounds λ-(BETS)2FexGa1-xCl4. This relation suggests that the sublattice magnetization m of the π electrons and the antiferromagnetic transition temperature TN are proportional to x. Note that the scaling relation for TN can be explained by considering the effective interaction between the π electrons via the localized 3d spins on the FeCl4 anions. The effective interaction is analogous to the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, but the roles of the conductive electrons and the localized spins are interchanged. Using available energy scales, it is shown that the TN scaling relation indicates that the system is in the vicinity of the quantum critical point. It is argued that the scaling relation for m at low temperatures, i.e., below TN but excluding temperatures in the vicinity of TN, indicates that the mismatch between the Fermi surface and that shifted by the nesting vector is large, at least for a large part of the Fermi surface. We also discuss the scaling relation near TN.

Kinetics of Spontaneous Bimetallization between Silver and Noble Metal Nanoparticles.

PubMed

Hirakawa, Kazutaka; Kaneko, Tetsuya; Toshima, Naoki

2018-06-05

A physical mixture of polymer-protected Ag nanoparticles and Rh, Pd, or Pt nanoparticles spontaneously forms Ag-core bimetallic nanoparticles. The formed nanoparticles were smaller than the parent Ag nanoparticles. In the initial process of this reaction, the surface plasmon absorption of Ag nanoparticles diminished and then almost ceased within one hour. Within several minutes, the decrease in Ag surface plasmon absorption could be analyzed by second-order reaction. This reaction was accelerated with an increase of temperature and the energy gap in the Fermi level between Ag and the other metals. The activation energy (E a ) of this reaction could be determined. An electron transfer reaction from Ag to other metal nanoparticles was proposed as the initial interaction between these metal nanoparticles because the Fermi level of Ag is relatively high, and the electron transfer is possible in terms of energy. The Marcus plot between the rate constant and the driving force, roughly estimated from the work function of metals, and the observed E a values reasonably explained the proposed electron transfer mechanism. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Shift of semimetal-semiconductor bond direction on “0 1 1” to “1 1 1” Bismuth quazi-two-dimension system

NASA Astrophysics Data System (ADS)

Yazdani, Ahmad; Hamreh, Sajad

2018-03-01

The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where • The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction. • the effect of L.S is more evident on the local density of state while it is not observable around the fermi level. • Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.

Anisotropic surface-state-mediated RKKY interaction between adatoms on a hexagonal lattice

NASA Astrophysics Data System (ADS)

Patrone, Paul N.; Einstein, T. L.

2012-01-01

Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that, in general, the corresponding Fermi wave vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface-state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface-state dispersions similar to Be(101¯0), we show that the RKKY interaction should have considerable anisotropy.

Single-electron population and depopulation of an isolated quantum dot using a surface-acoustic-wave pulse.

PubMed

Kataoka, M; Schneble, R J; Thorn, A L; Barnes, C H W; Ford, C J B; Anderson, D; Jones, G A C; Farrer, I; Ritchie, D A; Pepper, M

2007-01-26

We use a pulse of surface acoustic waves (SAWs) to control the electron population and depopulation of a quantum dot. The barriers between the dot and reservoirs are set high to isolate the dot. Within a time scale of approximately 100 s the dot can be set to a nonequilibrium charge state, where an empty (occupied) level stays below (above) the Fermi energy. A pulse containing a fixed number of SAW periods is sent through the dot, controllably changing the potential, and hence the tunneling probability, to add (remove) an electron to (from) the dot.

Tip-induced reduction of the resonant tunneling current on semiconductor surfaces.

PubMed

Jelínek, Pavel; Svec, Martin; Pou, Pablo; Perez, Ruben; Cháb, Vladimír

2008-10-24

We report scanning tunneling microscope measurements showing a substantial decrease of the current, almost to zero, on the Si(111)-(7x7) reconstruction in the near-to-contact region under low bias conditions. First principles simulations for the tip-sample interaction and transport calculations show that this effect is driven by the substantial local modification of the atomic and electronic structure of the surface. The chemical reactivity of the adatom dangling bond states that dominate the electronic density of states close to the Fermi level and their spatial localization result in a strong modification of the electronic current.

Validity criteria for Fermi's golden rule scattering rates applied to metallic nanowires.

PubMed

Moors, Kristof; Sorée, Bart; Magnus, Wim

2016-09-14

Fermi's golden rule underpins the investigation of mobile carriers propagating through various solids, being a standard tool to calculate their scattering rates. As such, it provides a perturbative estimate under the implicit assumption that the effect of the interaction Hamiltonian which causes the scattering events is sufficiently small. To check the validity of this assumption, we present a general framework to derive simple validity criteria in order to assess whether the scattering rates can be trusted for the system under consideration, given its statistical properties such as average size, electron density, impurity density et cetera. We derive concrete validity criteria for metallic nanowires with conduction electrons populating a single parabolic band subjected to different elastic scattering mechanisms: impurities, grain boundaries and surface roughness.

Isotropic Kink and Quasiparticle Excitations in the Three-Dimensional Perovskite Manganite La_{0.6}Sr_{0.4}MnO_{3}.

PubMed

Horiba, Koji; Kitamura, Miho; Yoshimatsu, Kohei; Minohara, Makoto; Sakai, Enju; Kobayashi, Masaki; Fujimori, Atsushi; Kumigashira, Hiroshi

2016-02-19

In order to reveal the many-body interactions in three-dimensional perovskite manganites that show colossal magnetoresistance, we performed an in situ angle-resolved photoemission spectroscopy on La_{0.6}Sr_{0.4}MnO_{3} and investigated the behavior of quasiparticles. We observed quasiparticle peaks near the Fermi momentum in both the electron and the hole bands, and clear kinks throughout the entire hole Fermi surface in the band dispersion. This isotropic behavior of quasiparticles and kinks suggests that polaronic quasiparticles produced by the coupling of electrons with Jahn-Teller phonons play an important role in the colossal magnetoresistance properties of the ferromagnetic metallic phase of three-dimensional manganites.

Breakdown of Landau Fermi liquid theory: Restrictions on the degrees of freedom of quantum electrons

NASA Astrophysics Data System (ADS)

Su, Yue-Hua; Lu, Han-Tao

2018-04-01

One challenge in contemporary condensed matter physics is to understand unconventional electronic physics beyond the paradigm of Landau Fermi-liquid theory. Here, we present a perspective that posits that most such examples of unconventional electronic physics stem from restrictions on the degrees of freedom of quantum electrons in Landau Fermi liquids. Since the degrees of freedom are deeply connected to the system's symmetries and topology, these restrictions can thus be realized by external constraints or by interaction-driven processes via the following mechanisms: (i) symmetry breaking, (ii) new emergent symmetries, and (iii) nontrivial topology. Various examples of unconventional electronic physics beyond the reach of traditional Landau Fermi liquid theory are extensively investigated from this point of view. Our perspective yields basic pathways to study the breakdown of Landau Fermi liquids and also provides a guiding principle in the search for novel electronic systems and devices.

Chemical contrast in STM imaging of transition metal aluminides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duguet, T.; Thiel, Patricia A.

2012-08-01

The present manuscript reviews recent scanning tunnelling microscopy (STM) studies of transition metal (TM) aluminide surfaces. It provides a general perspective on the contrast between Al atoms and TM atoms in STM imaging. A general trend is the much stronger bias dependence of TM atoms, or TM-rich regions of the surface. This dependence can be attenuated by the local chemical arrangements and environments. Al atoms can show a stronger bias dependence when their chemical environment, such as their immediate subsurface, is populated with TM. All this is well explained in light of combined results of STM and both theoretical andmore » experimental electronic and crystallographic structure determinations. Since STM probes the Fermi surface, the electronic structure in the vicinity of the Fermi level (EF) is essential for understanding contrast and bias dependence. Hence, partial density of states provides information about the TM d band position and width, s–p–d hybridization or interactions, or charge transfer between constituent elements. In addition, recent developments in STM image simulations are very interesting for elucidating chemical contrast at Al–TM alloy surfaces, and allow direct atomic identification, when the surface does not show too much disorder. Overall, we show that chemically-specific imaging is often possible at these surfaces.« less

The 7 × 1 Fermi Surface Reconstruction in a Two-dimensional f -electron Charge Density Wave System: PrTe 3

DOE PAGES

Lee, Eunsook; Kim, D. H.; Kim, Hyun Woo; ...

2016-07-25

The electronic structure of a charge density wave (CDW) system PrTe 3 and its modulated structure in the CDW phase have been investigated by employing ARPES, XAS, Pr 4 f RPES, and first-principles band structure calculation. Pr ions are found to be nearly trivalent, supporting the CDW instability in the metallic Te sheets through partial filling. Finite Pr 4 f spectral weight is observed near the Fermi level, suggesting the non-negligible Pr 4 f contribution to the CDW formation through the Pr 4 f -Te 5p hybridization. The two-fold symmetric features in the measured Fermi surface (FS) of PrTe 3more » are explained by the calculated FS for the assumed 7 × 1 CDW supercell formation in Te sheets. The shadow bands and the corresponding very weak FSs are observed, which originate from both the band folding due to the 3D interaction of Te sheets with neighboring Pr-Te layers and that due to the CDW-induced FS reconstruction. The straight vertical FSs are observed along k z, demonstrating the nearly 2D character for the near-EF states. The observed linear dichroism reveals the in-plane orbital character of the near-E F Te 5p states.« less

Fermi surface in the absence of a Fermi liquid in the Kondo insulator SmB 6

DOE PAGES

Hartstein, M.; Toews, W. H.; Hsu, Y. -T.; ...

2017-10-23

The search for a Fermi surface in the absence of a conventional Fermi liquid has thus far yielded very few potential candidates. Among promising materials are spin-frustrated Mott insulators near the insulator–metal transition, where theory predicts a Fermi surface associated with neutral low-energy excitations. In this paper, we reveal another route to experimentally realize a Fermi surface in the absence of a Fermi liquid by the experimental study of a Kondo insulator SmB 6 positioned close to the insulator–metal transition. We present experimental signatures down to low temperatures (<<1 K) associated with a Fermi surface in the bulk, including amore » sizeable linear specific heat coefficient, and on the application of a finite magnetic field, bulk magnetic quantum oscillations, finite quantum oscillatory entropy, and substantial enhancement in thermal conductivity well below the charge gap energy scale. Finally, the weight of evidence indicates that despite an extreme instance of Fermi liquid breakdown in Kondo insulating SmB 6, a Fermi surface arises from novel itinerant low-energy excitations that couple to magnetic fields, but not weak DC electric fields.« less

Electronic structure Fermi liquid theory of high T(sub c) superconductors: Comparison with experiments

NASA Astrophysics Data System (ADS)

Freeman, A. J.; Yu, Jaejun

1990-04-01

For years, there has been controversy on whether the normal state of the Cu-oxide superconductors is a Fermi liquid or some other exotic ground state. However, some experimentalists are clarifying the nature of the normal state of the high T(sub c) superconductors by surmounting the experimental difficulties in producing clean, well characterized surfaces so as to obtain meaningful high resolved photoemission data, which agrees with earlier positron-annihilation experiments. The experimental work on high resolution angle resolved photoemission by Campuzano et al. and positron-annihilation studies by Smedskjaer et al. has verified the calculated Fermi surfaces in YBa2Cu3O7 superconductors and has provided evidence for the validity of the energy band approach. Similar good agreement was found for Bi2Sr2CaCu2O8 by Olson et al. As a Fermi liquid (metallic) nature of the normal state of the high T(sub c) superconductors becomes evident, these experimental observations have served to confirm the predictions of the local density functional calculations and hence the energy band approach as a valid natural starting point for further studies of their superconductivity.

Electronic structure Fermi liquid theory of high T(sub c) superconductors: Comparison with experiments

NASA Technical Reports Server (NTRS)

Freeman, A. J.; Yu, Jaejun

1990-01-01

For years, there has been controversy on whether the normal state of the Cu-oxide superconductors is a Fermi liquid or some other exotic ground state. However, some experimentalists are clarifying the nature of the normal state of the high T(sub c) superconductors by surmounting the experimental difficulties in producing clean, well characterized surfaces so as to obtain meaningful high resolved photoemission data, which agrees with earlier positron-annihilation experiments. The experimental work on high resolution angle resolved photoemission by Campuzano et al. and positron-annihilation studies by Smedskjaer et al. has verified the calculated Fermi surfaces in YBa2Cu3O7 superconductors and has provided evidence for the validity of the energy band approach. Similar good agreement was found for Bi2Sr2CaCu2O8 by Olson et al. As a Fermi liquid (metallic) nature of the normal state of the high T(sub c) superconductors becomes evident, these experimental observations have served to confirm the predictions of the local density functional calculations and hence the energy band approach as a valid natural starting point for further studies of their superconductivity.

Electronic properties of core-shell nanowire resonant tunneling diodes

PubMed Central

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping. PMID:25288912

Electronic properties of core-shell nanowire resonant tunneling diodes.

PubMed

Zervos, Matthew

2014-01-01

The electronic sub-band structure of InAs/InP/InAs/InP/InAs core-shell nanowire resonant tunneling diodes has been investigated in the effective mass approximation by varying the core radius and the thickness of the InP barriers and InAs shells. A top-hat, double-barrier potential profile and optimal energy configuration are obtained for core radii and surface shells >10 nm, InAs middle shells <10 nm, and 5 nm InP barriers. In this case, two sub-bands exist above the Fermi level in the InAs middle shell which belongs to the m = 0 and m = 1 ladder of states that have similar wave functions and energies. On the other hand, the lowest m = 0 sub-band in the core falls below the Fermi level but the m = 1 states do not contribute to the current transport since they reside energetically well above the Fermi level. We compare the case of GaAs/AlGaAs/GaAs/AlGaAs/GaAs which may conduct current with smaller applied voltages due to the larger effective mass of electrons in GaAs and discuss the need for doping.

Origin of the non-monotonic variance of Tc in the 1111 iron based superconductors with isovalent doping

PubMed Central

Usui, Hidetomo; Suzuki, Katsuhiro; Kuroki, Kazuhiko

2015-01-01

Motivated by recent experimental investigations of the isovalent doping iron-based superconductors LaFe(AsxP1-x)O1-yFy and NdFe(AsxP1-x)O1-yFy, we theoretically study the correlation between the local lattice structure, the Fermi surface, the spin fluctuation-mediated superconductivity, and the composition ratio. In the phosphides, the dXZ and dYZ orbitals barely hybridize around the Γ point to give rise to two intersecting ellipse shape Fermi surfaces. As the arsenic content increases and the Fe-As-Fe bond angle is reduced, the hybridization increases, so that the two bands are mixed to result in concentric inner and outer Fermi surfaces, and the orbital character gradually changes to dxz and dyz, where x–y axes are rotated by 45 degrees from X–Y. This makes the orbital matching between the electron and hole Fermi surfaces better and enhances the spin fluctuation within the dxz/yz orbitals. On the other hand, the hybridization splits the two bands, resulting in a more dispersive inner band. Hence, there is a trade-off between the density of states and the orbital matching, thereby locally maximizing the dxz/yz spin fluctuation and superconductivity in the intermediate regime of As/P ratio. The consistency with the experiment strongly indicate the importance of the spin fluctuation played in this series of superconductors. PMID:26073071

Observation of the spin-polarized surface state in a noncentrosymmetric superconductor BiPd

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neupane, Madhab; Alidoust, Nasser; Hosen, M. Mofazzel

Recently, noncentrosymmetric superconductor BiPd has attracted considerable research interest due to the possibility of hosting topological superconductivity. Here in this paper we report a systematic high-resolution angle-resolved photoemission spectroscopy (ARPES) and spin-resolved ARPES study of the normal state electronic and spin properties of BiPd. Our experimental results show the presence of a surface state at higher-binding energy with the location of Dirac point at around 700 meV below the Fermi level. The detailed photon energy, temperature-dependent and spin-resolved ARPES measurements complemented by our first-principles calculations demonstrate the existence of the spin-polarized surface states at high-binding energy. The absence of suchmore » spin-polarized surface states near the Fermi level negates the possibility of a topological superconducting behaviour on the surface. Our direct experimental observation of spin-polarized surface states in BiPd provides critical information that will guide the future search for topological superconductivity in noncentrosymmetric materials.« less

Observation of the spin-polarized surface state in a noncentrosymmetric superconductor BiPd

DOE PAGES

Neupane, Madhab; Alidoust, Nasser; Hosen, M. Mofazzel; ...

2016-11-07

Recently, noncentrosymmetric superconductor BiPd has attracted considerable research interest due to the possibility of hosting topological superconductivity. Here in this paper we report a systematic high-resolution angle-resolved photoemission spectroscopy (ARPES) and spin-resolved ARPES study of the normal state electronic and spin properties of BiPd. Our experimental results show the presence of a surface state at higher-binding energy with the location of Dirac point at around 700 meV below the Fermi level. The detailed photon energy, temperature-dependent and spin-resolved ARPES measurements complemented by our first-principles calculations demonstrate the existence of the spin-polarized surface states at high-binding energy. The absence of suchmore » spin-polarized surface states near the Fermi level negates the possibility of a topological superconducting behaviour on the surface. Our direct experimental observation of spin-polarized surface states in BiPd provides critical information that will guide the future search for topological superconductivity in noncentrosymmetric materials.« less

Theory of inhomogeneous quantum systems. III. Variational wave functions for Fermi fluids

NASA Astrophysics Data System (ADS)

Krotscheck, E.

1985-04-01

We develop a general variational theory for inhomogeneous Fermi systems such as the electron gas in a metal surface, the surface of liquid 3He, or simple models of heavy nuclei. The ground-state wave function is expressed in terms of two-body correlations, a one-body attenuation factor, and a model-system Slater determinant. Massive partial summations of cluster expansions are performed by means of Born-Green-Yvon and hypernetted-chain techniques. An optimal single-particle basis is generated by a generalized Hartree-Fock equation in which the two-body correlations screen the bare interparticle interaction. The optimization of the pair correlations leads to a state-averaged random-phase-approximation equation and a strictly microscopic determination of the particle-hole interaction.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Llave, Ezequiel de la; Herrera, Santiago E.; Adam, Catherine

The molecular and electronic structure of Os(II) complexes covalently bonded to self-assembled monolayers (SAMs) on Au(111) surfaces was studied by means of polarization modulation infrared reflection absorption spectroscopy, photoelectron spectroscopies, scanning tunneling microscopy, scanning tunneling spectroscopy, and density functional theory calculations. Attachment of the Os complex to the SAM proceeds via an amide covalent bond with the SAM alkyl chain 40° tilted with respect to the surface normal and a total thickness of 26 Å. The highest occupied molecular orbital of the Os complex is mainly based on the Os(II) center located 2.2 eV below the Fermi edge and themore » LUMO molecular orbital is mainly based on the bipyridine ligands located 1.5 eV above the Fermi edge.« less

Spatial variations of the local density of states modified by CDWs in 1 T- TaS2- xSex

NASA Astrophysics Data System (ADS)

Hasegawa, T.; Yamaguchi, W.; Kim, J.-J.; Wei, W.; Nantoh, M.; Ikuta, H.; Kitazawa, K.; Manivannan, A.; Fujishima, A.; Uchinokura, K.

1994-07-01

Spatial variations of the local density of states (LDOS) near the Fermi level have been observed on the layered dichalcogenides 1 T- TaS2- xSex ( x = 0, 0.2, 2) for the first time. The tunneling spectra on the cleaved surfaces were measured by atomic-site tunneling (AST) spectroscopy technique at room temperature. In 1T-TaS 2, the LDOS was substantially different among the three inequivalent Ta atomic sites induced by the CDW formation. However, the surface electronic structure became homogeneous, as the Se content was increased. By substituting Se for S, the minimum position of the LDOS was systematically shifted to a higher energy side above the Fermi level.

New Display-type Analyzer for Three-dimensional Fermi Surface Mapping and Atomic Orbital Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takahashi, Nobuaki; Matsuda, Hiroyuki; Shigenai, Shin

2007-01-19

We have developed and installed a new Display-type ANAlyzer (DIANA) at Ritsumeikan SR center BL-7. We measured the angle-integrated energy distribution curve of poly-crystal gold and the photoelectron intensity angular distribution (PIAD) of HOPG to estimate the total energy resolution and to check the condition of the analyzer. The total energy resolution ({delta}E/E) is up to 0.78%, which is much higher than the old type. The PIAD of HOPG we obtained was the ring pattern as expected. Therefore, a detailed three-dimensional Fermi surface mapping and an analysis of the atomic orbitals constituting the electron energy bands are possible by combiningmore » them with a linearly polarized synchrotron radiation.« less

Orbital superconductivity, defects, and pinned nematic fluctuations in the doped iron chalcogenide FeSe 0.45 Te 0.55

DOE PAGES

Sarkar, Saheli; Van Dyke, John; Sprau, Peter O.; ...

2017-08-09

We demonstrate that the differential conductance, dI/dV , measured via spectroscopic imaging scanning tunneling microscopy in the doped iron chalcogenide FeSe0.45Te0.55, possesses a series of characteristic features that allow one to extract the orbital structure of the superconducting gaps. This yields nearly isotropic superconducting gaps on the two hole-like Fermi surfaces, and a strongly anisotropic gap on the electron-like Fermi surface. Moreover, we show that the pinning of nematic fluctuations by defects can give rise to a dumbbell-like spatial structure of the induced impurity bound states, and explains the related C 2-symmetry in the Fourier transformed differential conductance.

Orbital superconductivity, defects, and pinned nematic fluctuations in the doped iron chalcogenide FeSe 0.45 Te 0.55

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkar, Saheli; Van Dyke, John; Sprau, Peter O.

We demonstrate that the differential conductance, dI/dV , measured via spectroscopic imaging scanning tunneling microscopy in the doped iron chalcogenide FeSe0.45Te0.55, possesses a series of characteristic features that allow one to extract the orbital structure of the superconducting gaps. This yields nearly isotropic superconducting gaps on the two hole-like Fermi surfaces, and a strongly anisotropic gap on the electron-like Fermi surface. Moreover, we show that the pinning of nematic fluctuations by defects can give rise to a dumbbell-like spatial structure of the induced impurity bound states, and explains the related C 2-symmetry in the Fourier transformed differential conductance.

Electronic and elemental properties of the Cu2ZnSn(S,Se)4 surface and grain boundaries

NASA Astrophysics Data System (ADS)

Haight, Richard; Shao, Xiaoyan; Wang, Wei; Mitzi, David B.

2014-01-01

X-ray and femtosecond UV photoelectron spectroscopy, secondary ion mass spectrometry and photoluminescence imaging were used to investigate the electronic and elemental properties of the CZTS,Se surface and its oxides. Oxide removal reveals a very Cu poor and Zn rich surface relative to bulk composition. O and Na are observed at the surface and throughout the bulk. Upward bending of the valence bands indicates the presence of negative charge in the surface region and the Fermi level is found near the band gap center. The presence of point defects and the impact of these findings on grain boundary properties will be described.

Fermi surface properties of NbAs2 studied by de Haas-van Alphen oscillation

NASA Astrophysics Data System (ADS)

Singha, Ratnadwip; Mandal, Prabhat

2018-04-01

We have grown high quality single crystal of NbAs2, a member of the transition metal dipnictide family and measured magnetotransport properties. Very large magnetoresistance ˜1.3×105 % has been observed at 2 K with 9 T magnetic field. The Fermi surface properties have been studied by de Haas-van Alphen oscillation technique. The Fermi surface is highly anisotropic and consists of multiple Fermi pockets. From quantum oscillation results, different Fermi surface related parameters have been quantified.

Semiclassical magnetotransport in strongly spin-orbit coupled Rashba two-dimensional electron systems.

PubMed

Xiao, Cong; Li, Dingping

2016-06-15

Semiclassical magnetoelectric and magnetothermoelectric transport in strongly spin-orbit coupled Rashba two-dimensional electron systems is investigated. In the presence of a perpendicular classically weak magnetic field and short-range impurity scattering, we solve the linearized Boltzmann equation self-consistently. Using the solution, it is found that when Fermi energy E F locates below the band crossing point (BCP), the Hall coefficient is a nonmonotonic function of electron density n e and not inversely proportional to n e. While the magnetoresistance (MR) and Nernst coefficient vanish when E F locates above the BCP, non-zero MR and enhanced Nernst coefficient emerge when E F decreases below the BCP. Both of them are nonmonotonic functions of E F below the BCP. The different semiclassical magnetotransport behaviors between the two sides of the BCP can be helpful to experimental identifications of the band valley regime and topological change of Fermi surface in considered systems.

Semiclassical magnetotransport in strongly spin-orbit coupled Rashba two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Xiao, Cong; Li, Dingping

2016-06-01

Semiclassical magnetoelectric and magnetothermoelectric transport in strongly spin-orbit coupled Rashba two-dimensional electron systems is investigated. In the presence of a perpendicular classically weak magnetic field and short-range impurity scattering, we solve the linearized Boltzmann equation self-consistently. Using the solution, it is found that when Fermi energy E F locates below the band crossing point (BCP), the Hall coefficient is a nonmonotonic function of electron density n e and not inversely proportional to n e. While the magnetoresistance (MR) and Nernst coefficient vanish when E F locates above the BCP, non-zero MR and enhanced Nernst coefficient emerge when E F decreases below the BCP. Both of them are nonmonotonic functions of E F below the BCP. The different semiclassical magnetotransport behaviors between the two sides of the BCP can be helpful to experimental identifications of the band valley regime and topological change of Fermi surface in considered systems.

Photoemission and muon spin relaxation spectroscopy of the iron-based Rb0.77Fe1.61Se2 superconductor: Crucial role of the cigar-shaped Fermi surface

NASA Astrophysics Data System (ADS)

Maletz, J.; Zabolotnyy, V. B.; Evtushinsky, D. V.; Yaresko, A. N.; Kordyuk, A. A.; Shermadini, Z.; Luetkens, H.; Sedlak, K.; Khasanov, R.; Amato, A.; Krzton-Maziopa, A.; Conder, K.; Pomjakushina, E.; Klauss, H.-H.; Rienks, E. D. L.; Büchner, B.; Borisenko, S. V.

2013-10-01

In this study, we investigate the electronic and magnetic properties of Rb0.77Fe1.61Se2 (Tc = 32.6 K) in normal and superconducting states by means of photoemission and μSR spectroscopies as well as band-structure calculations. We demonstrate that the unusual behavior of these materials is the result of separation into metallic (˜12%) and insulating (˜88%) phases. Only the former becomes superconducting and has a usual electronic structure of electron-doped FeSe slabs. Our results thus imply that the antiferromagnetic insulating phase is just a by-product of Rb intercalation and its magnetic properties have no direct relation to the superconductivity. Instead, we find that also in this class of iron-based compounds, the key ingredient for superconductivity is a certain proximity of a Van Hove singularity to the Fermi level.

Studies on electronic structure of interfaces between Ag and gelatin for stabilization of Ag nanoparticles

NASA Astrophysics Data System (ADS)

Tani, Tadaaki; Uchida, Takayuki

2015-06-01

Extremely high stability of Ag nanoparticles in photographic materials has forced us to study the electronic structures of the interfaces between thin layers of Ag, Au, and Pt and their surface membranes in ambient atmosphere by photoelectron yield spectroscopy in air and Kelvin probe method. Owing to the Fermi level equalization between a metal layer and a membrane coming from air, the electron transfer took place from the membrane to Pt and Au layers and from an Ag layer to the membrane, giving the reason for poor stability of Ag nanoparticles in air. The control of the Fermi level of an Ag layer with respect to that of a gelatin membrane in air could be widely made according to Nernst’s equation by changing the pH and pAg values of an aqueous gelatin solution used to form the membrane, and thus available to stabilize Ag nanoparticles in a gelatin matrix.

Structural, electronic and vibrational properties of few-layer 2H-and 1T-TaSe 2

DOE PAGES

Yan, Jia -An; Dela Cruz, Mack A.; Cook, Brandon G.; ...

2015-11-16

Two-dimensional metallic transition metal dichalcogenides (TMDs) are of interest for studying phenomena such as charge-density wave (CDW) and superconductivity. Few-layer tantalum diselenides (TaSe 2) are typical metallic TMDs exhibiting rich CDW phase transitions. However, a description of the structural, electronic and vibrational properties for different crystal phases and stacking configurations, essential for interpretation of experiments, is lacking. We present first principles calculations of structural phase energetics, band dispersion near the Fermi level, phonon properties and vibrational modes at the Brillouin zone center for different layer numbers, crystal phases and stacking geometries. Evolution of the Fermi surfaces as well as themore » phonon dispersions as a function of layer number reveals dramatic dimensionality effects in this CDW material. Lastly, our results indicate strong electronic interlayer coupling, detail energetically possible stacking geometries, and provide a basis for interpretation of Raman spectra.« less

Nodal-line pairing with 1D-3D coupled Fermi surfaces: A model motivated by Cr-based superconductors

NASA Astrophysics Data System (ADS)

Wachtel, Gideon; Kim, Yong Baek

2016-09-01

Motivated by the recent discovery of a new family of chromium-based superconductors, we consider a two-band model, where a band of electrons dispersing only in one direction interacts with a band of electrons dispersing in all three directions. Strong 2 kf density fluctuations in the one-dimensional band induces attractive interactions between the three-dimensional electrons, which, in turn, makes the system superconducting. Solving the associated Eliashberg equations, we obtain a gap function which is peaked at the "poles" of the three-dimensional Fermi sphere, and decreases towards the "equator." When strong enough local repulsion is included, the gap actually changes sign around the equator and nodal rings are formed. These nodal rings manifest themselves in several experimentally observable quantities, some of which resemble unconventional observations in the newly discovered superconductors which motivated this work.

Anomalous Nernst effect in type-II Weyl semimetals

NASA Astrophysics Data System (ADS)

Saha, Subhodip; Tewari, Sumanta

2018-01-01

Topological Weyl semimetals (WSM), a new state of quantum matter with gapless nodal bulk spectrum and open Fermi arc surface states, have recently sparked enormous interest in condensed matter physics. Based on the symmetry and fermiology, it has been proposed that WSMs can be broadly classified into two types, type-I and type-II Weyl semimetals. While the undoped, conventional, type-I WSMs have point like Fermi surface and vanishing density of states (DOS) at the Fermi energy, the type-II Weyl semimetals break Lorentz symmetry explicitly and have tilted conical spectra with electron and hole pockets producing finite DOS at the Fermi level. The tilted conical spectrum and finite DOS at Fermi level in type-II WSMs have recently been shown to produce interesting effects such as a chiral anomaly induced longitudinal magnetoresistance that is strongly anisotropic in direction and a novel anomalous Hall effect. In this work, we consider the anomalous Nernst effect in type-II WSMs in the absence of an external magnetic field using the framework of semi-classical Boltzmann theory. Based on both a linearized model of time-reversal breaking WSM with a higher energy cut-off and a more realistic lattice model, we show that the anomalous Nernst response in these systems is strongly anisotropic in space, and can serve as a reliable signature of type-II Weyl semimetals in a host of magnetic systems with spontaneously broken time reversal symmetry.

Origin of Pressure-induced Superconducting Phase in K xFe 2-ySe 2 studied by Synchrotron X-ray Diffraction and Spectroscopy

DOE PAGES

Yamamoto, Yoshiya; Yamaoka, Hitoshi; Tanaka, Masashi; ...

2016-08-08

Pressure dependence of the electronic and crystal structures of K xFe 2–ySe 2, which has pressure-induced two superconducting domes of SC I and SC II, was investigated by x-ray emission spectroscopy and diffraction. X-ray diffraction data show that compressibility along the c-axis changes around 12 GPa, where a new superconducting phase of SC II appears. This suggests a possible tetragonal to collapsed tetragonal phase transition. X-ray emission spectroscopy data also shows the change in the electronic structure around 12 GPa. These results can be explained by the scenario that the two SC domes under pressure originate from the change ofmore » Fermi surface topology. Lastly, our results here show the pronounced increase of the density of states near the Fermi surface under pressure with a structural phase transition, which can help address our fundamental understanding for the appearance of the SC II phase.« less

Origin of Pressure-induced Superconducting Phase in KxFe2-ySe2 studied by Synchrotron X-ray Diffraction and Spectroscopy

NASA Astrophysics Data System (ADS)

Yamamoto, Yoshiya; Yamaoka, Hitoshi; Tanaka, Masashi; Okazaki, Hiroyuki; Ozaki, Toshinori; Takano, Yoshihiko; Lin, Jung-Fu; Fujita, Hidenori; Kagayama, Tomoko; Shimizu, Katsuya; Hiraoka, Nozomu; Ishii, Hirofumi; Liao, Yen-Fa; Tsuei, Ku-Ding; Mizuki, Jun'Ichiro

2016-08-01

Pressure dependence of the electronic and crystal structures of KxFe2-ySe2, which has pressure-induced two superconducting domes of SC I and SC II, was investigated by x-ray emission spectroscopy and diffraction. X-ray diffraction data show that compressibility along the c-axis changes around 12 GPa, where a new superconducting phase of SC II appears. This suggests a possible tetragonal to collapsed tetragonal phase transition. X-ray emission spectroscopy data also shows the change in the electronic structure around 12 GPa. These results can be explained by the scenario that the two SC domes under pressure originate from the change of Fermi surface topology. Our results here show the pronounced increase of the density of states near the Fermi surface under pressure with a structural phase transition, which can help address our fundamental understanding for the appearance of the SC II phase.

Continuum Lowering and Fermi-Surface Rising in Strongly Coupled and Degenerate Plasmas

NASA Astrophysics Data System (ADS)

Hu, S. X.

2017-08-01

Continuum lowering is a well known and important physics concept that describes the ionization potential depression (IPD) in plasmas caused by thermal- or pressure-induced ionization of outer-shell electrons. The existing IPD models are often used to characterize plasma conditions and to gauge opacity calculations. Recent precision measurements have revealed deficits in our understanding of continuum lowering in dense hot plasmas. However, these investigations have so far been limited to IPD in strongly coupled but nondegenerate plasmas. Here, we report a first-principles study of the K -edge shifting in both strongly coupled and fully degenerate carbon plasmas, with quantum molecular dynamics calculations based on the all-electron density-functional theory. The resulting K -edge shifting versus plasma density, as a probe to the continuum lowering and the Fermi-surface rising, is found to be significantly different from predictions of existing IPD models. In contrast, a simple model of "single-atom-in-box," developed in this work, accurately predicts K -edge locations as ab initio calculations provide.

Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2 H – NbSe 2

DOE PAGES

Arguello, C. J.; Rosenthal, E. P.; Andrade, E. F.; ...

2015-01-21

We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe₂ that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe₂. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiologymore » and the interactions. In 2H-NbSe₂, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.« less

Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2H-NbSe2.

PubMed

Arguello, C J; Rosenthal, E P; Andrade, E F; Jin, W; Yeh, P C; Zaki, N; Jia, S; Cava, R J; Fernandes, R M; Millis, A J; Valla, T; Osgood, R M; Pasupathy, A N

2015-01-23

We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe2 that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe2. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiology and the interactions. In 2H-NbSe2, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.

Temperature dependence of magnetoresistance in copper single crystals

NASA Astrophysics Data System (ADS)

Bian, Q.; Niewczas, M.

2018-03-01

Transverse magnetoresistance of copper single crystals has been measured in the orientation of open-orbit from 2 K to 20 K for fields up to 9 T. The experimental Kohler's plots display deviation between individual curves below 16 K and overlap in the range of 16 K-20 K. The violation of the Kohler's rule below 16 K indicates that the magnetotransport can not be described by the classical theory of electron transport on spherical Fermi surface with a single relaxation time. A theoretical model incorporating two energy bands, spherical and cylindrical, with different relaxation times has been developed to describe the magnetoresistance data. The calculations show that the electron-phonon scattering rates at belly and neck regions of the Fermi surface have different temperature dependencies, and in general, they do not follow T3 law. The ratio of the relaxation times in belly and neck regions decreases parabolically with temperature as A - CT2 , with A and C being constants.

Effects of magnetic dopants in (Li0.8M0.2OH )FeSe (M =Fe , Mn, Co): Density functional theory study using a band unfolding technique

NASA Astrophysics Data System (ADS)

Chen, M. X.; Chen, Wei; Zhang, Zhenyu; Weinert, M.

2017-12-01

The effects of Fe dopants on the electronic bands structure of (Li0.8Fe0.2OH )FeSe are investigated by a band unfolding (k -projection) technique and first-principles supercell calculations. Doping 20% Fe into the LiOH layers causes electron donation to the FeSe layers, significantly changing the profile of bands around the Fermi level. Because of the weak bonding between the LiOH and FeSe layers the magnetic configuration of the dopants has only minor effects on the band structure. The electronic bands for the surface FeSe layer of (Li0.8Fe0.2OH )FeSe show noticeable differences compared to those of the inner layers, both in the location of the Fermi level and in details of the bands near the high symmetry points, resulting from different effective doping levels and the broken symmetry at the surface. The band structure for the surface FeSe layer with checkerboard antiferromagnetic order is reasonably consistent with angle-resolved photoemission results. The 3 d transition metals Mn and Co have similar doping effects on the band structure of (LiOH)FeSe.

Non Fermi Liquid Crossovers in a Quasi-One-Dimensional Conductor in an Inclined Magnetic Field

NASA Astrophysics Data System (ADS)

Lebed, Andrei

We consider a theoretical problem of electron-electron scattering time in a quasi-one-dimensional (Q1D) conductor in a magnetic field, perpendicular to its conducting axis. We show that inverse electron-electron scattering time becomes of the order of characteristic electron energy, 1 / τ ~ ɛ ~ T , in a high magnetic field, directed far from the main crystallographic axes, which indicates breakdown of the Fermi liquid theory. In a magnetic field, directed close to one of the main crystallographic axis, inverse electron-electron scattering time becomes much smaller than characteristic electron energy and, thus, applicability of Fermi liquid theory restores. We suggest that there exist crossovers between Fermi liquid and some non Fermi liquid states in a strong enough inclined magnetic field. Application of our results to the Q1D conductor (Per)2Au(mnt)2 shows that it has to be possible to observe the above mentioned phenomenon in feasibly high magnetic fields of the order of H >=H* ~= 25 T . It was partially supported by NFS grant DMR-1104512.

Separation of charge-order and magnetic QCPs in heavy fermions and high Tc cuprates

NASA Astrophysics Data System (ADS)

Harrison, Neil

2010-03-01

The Fermi surface topology of high temperature superconductors inferred from magnetic quantum oscillation measurements provides clues for the origin of unconventional pairing thus previously not accessed by other spectroscopy techniques. While the overdoped regime of the high Tc phase diagram has a large Fermi surface consistent with bandstructure calculations, the underdoped regime of YBa2Cu2O6+x is found to be composed of small pockets. There is considerable debate as to whether the small observed ``pocket'' is hole-like or electron-like- whether the Fermi surface is best described by a t-J model or a conventional band folding picture- whether or not a Fermi liquid description applies- or- whether bilayer coupling splits the degeneracy of the observed pockets. We (myself and collaborators) have now collected an extensive body of experimental data that brings this debate to rest, but raises new questions about the nature of itinerant magnetism in underdoped high Tc cuprates. Quantum oscillation measurements are performed on multiple samples in magnetic fields extending to 85 T, temperatures between 30 mK (dilution fridge in dc fields to 45 T) and 18 K, over a range of hole dopings and with samples rotated in-situ about multiple axes with respect to the magnetic field. We perform a topographical map of the Fermi surface, enabling the in-plane shape of one of the pockets to be determined- imposing stringent constraints on the origin of the Fermi surface. While quantum oscillations measurements are consistent with a topological Fermi surface change associated with magnetism near optimal doping, they also point to a secondary instability deep within the underdoped regime beneath a high Tc superconducting sub-dome. An steep upturn in the quasiparticle effective mass is observed on underdoping, suggestive of a quantum critical point near x= 0.46 separating the metallic regime (composed of small pockets) from a more underdoped insulating charge-ordered regime (earlier reported in neutron scattering measurements). Our findings suggest the importance of two critical instabilities affecting the Fermi surface beneath the high Tc superconducting dome(s). While one of these has been proposed to provide the likely origin of unconventional pairing in the cuprates, the other can be an important factor in boosting transition temperatures. [4pt] This work is supported by the DoE BES grant ``Science in 100 T''. The author would like to thank collaborators S. E. Sebastian, C. H. Mielke, P. A. Goddard, M. M. Altarawneh, R. Liang, D. A. Bonn, W. N. Hardy and G. G. Lonzarich, and supporting staff at the National High Magnetic Field Laboratory (NHMFL). Quantum oscillation experiments are performed at the NHMFL, which is funded by the NSF with support from the DoE and State of Florida.

Atomically precise lateral modulation of a two-dimensional electron liquid in anatase TiO 2 thin films

DOE PAGES

Wang, Zhiming; Zhong, Z.; Walker, S. McKeown; ...

2017-03-10

Engineering the electronic band structure of two-dimensional electron liquids (2DELs) confined at the surface or interface of transition metal oxides is key to unlocking their full potential. Here we describe a new approach to tailoring the electronic structure of an oxide surface 2DEL demonstrating the lateral modulation of electronic states with atomic scale precision on an unprecedented length scale comparable to the Fermi wavelength. To this end, we use pulsed laser deposition to grow anatase TiO 2 films terminated by a (1 x 4) in-plane surface reconstruction. Employing photo-stimulated chemical surface doping we induce 2DELs with tunable carrier densities thatmore » are confined within a few TiO 2 layers below the surface. Subsequent in situ angle resolved photoemission experiments demonstrate that the (1 x 4) surface reconstruction provides a periodic lateral perturbation of the electron liquid. Furthermore, this causes strong backfolding of the electronic bands, opening of unidirectional gaps and a saddle point singularity in the density of states near the chemical potential.« less

Topologically nontrivial electronic states in CaSn3

NASA Astrophysics Data System (ADS)

Gupta, Sunny; Juneja, Rinkle; Shinde, Ravindra; Singh, Abhishek K.

2017-06-01

Based on the first-principles calculations, we theoretically propose topologically non-trivial states in a recently experimentally discovered superconducting material CaSn3. When the spin-orbit coupling (SOC) is ignored, the material is a host to three-dimensional topological nodal-line semimetal states. Drumhead like surface states protected by the coexistence of time-reversal and mirror symmetry emerge within the two-dimensional regions of the surface Brillouin zone connecting the nodal lines. When SOC is included, unexpectedly, each nodal line evolves into two Weyl nodes (W1 and W2) in this centrosymmetric material. Berry curvature calculations show that these nodes occur in a pair and act as either a source or a sink of Berry flux. This material also has unique surface states in the form of Fermi arcs, which unlike other known Weyl semimetals forms closed loops of surface states on the Fermi surface. Our theoretical realization of topologically non-trivial states in a superconducting material paves the way towards unraveling the interconnection between topological physics and superconductivity.

A new NH 3 orbital of the NH 3/Ni(110) surface observed by metastable quenching spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Lihwa; Arias, Jose; Hanrahan, Ciaran; Martin, Richard M.; Metiu, Horia

1986-01-01

By using metastable quenching spectroscopy we have found a new NH 3 filled orbital (in the language of one electron theory) for NH 3/Ni(110), located at the Fermi level of the surface. The orbital is not observed when NH 3 is adsorbed on Ni(110), but it is detected for NH 3 adsorbed on polycrystalline Al.

Observation of Dirac-like band dispersion in LaAgSb 2

DOE PAGES

Shi, X.; Richard, P.; Wang, Kefeng; ...

2016-02-16

In this paper, we present a combined angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations study of the electronic structure of LaAgSb 2 in the entire first Brillouin zone. We observe a Dirac-cone-like structure in the vicinity of the Fermi level formed by the crossing of two linear energy bands, as well as the nested segments of a Fermi surface pocket emerging from the cone. In conclusion, our ARPES results show the close relationship of the Dirac cone to the charge-density-wave ordering, providing consistent explanations for exotic behaviors in this material.

Partially filled Landau level at even denominators: A vortex metal with a Berry phase

NASA Astrophysics Data System (ADS)

You, Yizhi

2018-04-01

We develop a vortex metal theory for a partially filled Landau level at ν =1/2 n whose ground state contains a composite Fermi surface formed by the vortex of electrons. In the projected Landau-level limit, the composite Fermi surface contains a -π/n Berry phase. Such a fractional Berry phase is a consequence of Landau-level projection which produces the Girvin-MacDonald-Platzman [S. M. Girvin, A. H. MacDonald, and P. M. Platzman, Phys. Rev. B 33, 2481 (1986), 10.1103/PhysRevB.33.2481] guiding center algebra and embellishes an anomalous velocity to the equation of motion for the vortex metal. Further, we investigate a particle-hole symmetric bilayer system with ν1=1/2 n and ν2=1 -1/2 n at each layer, and demonstrate that the -π/n Berry phase on the composite Fermi surface leads to the suppression of 2 kf backscattering between the particle-hole partner bilayer, which could be a smoking gun to detect the fractional Berry phase. We also mention various instabilities and competing orders in such bilayer systems, including a Z4 n topological order phase driven by quantum criticality.

Enhanced superconductivity in the high pressure phase of SnAs studied from first principles

NASA Astrophysics Data System (ADS)

Sreenivasa Reddy, P. V.; Kanchana, V.; Millichamp, T. E.; Vaitheeswaran, G.; Dugdale, S. B.

2017-01-01

First principles calculations are performed using density functional theory and density functional perturbation theory for SnAs. Total energy calculations show the first order phase transition from an NaCl structure to a CsCl one at around 37 GPa, which is also confirmed from enthalpy calculations and agrees well with experimental work. Calculations of the phonon structure and hence the electron-phonon coupling, λep, and superconducting transition temperature, Tc, across the phase diagram are performed. These calculations give an ambient pressure Tc, in the NaCl structure, of 3.08 K, in good agreement with experiment whilst at the transition pressure, in the CsCl structure, a drastically increased value of Tc = 12.2 K is found. Calculations also show a dramatic increase in the electronic density of states at this pressure. The lowest energy acoustic phonon branch in each structure also demonstrates some softening effects. Electronic structure calculations of the Fermi surface in both phases are presented for the first time as well as further calculations of the generalised susceptibility with the inclusion of matrix elements. These calculations indicate that the softening is not derived from Fermi surface nesting and it is concluded to be due to a wavevector-dependent enhancement of the electron-phonon coupling.

Optical spectroscopy shows that the normal state of URu2Si2 is an anomalous Fermi liquid.

PubMed

Nagel, Urmas; Uleksin, Taaniel; Rõõm, Toomas; Lobo, Ricardo P S M; Lejay, Pascal; Homes, Christopher C; Hall, Jesse S; Kinross, Alison W; Purdy, Sarah K; Munsie, Tim; Williams, Travis J; Luke, Graeme M; Timusk, Thomas

2012-11-20

Fermi showed that, as a result of their quantum nature, electrons form a gas of particles whose temperature and density follow the so-called Fermi distribution. As shown by Landau, in a metal the electrons continue to act like free quantum mechanical particles with enhanced masses, despite their strong Coulomb interaction with each other and the positive background ions. This state of matter, the Landau-Fermi liquid, is recognized experimentally by an electrical resistivity that is proportional to the square of the absolute temperature plus a term proportional to the square of the frequency of the applied field. Calculations show that, if electron-electron scattering dominates the resistivity in a Landau-Fermi liquid, the ratio of the two terms, b, has the universal value of b = 4. We find that in the normal state of the heavy Fermion metal URu(2)Si(2), instead of the Fermi liquid value of 4, the coefficient b = 1 ± 0.1. This unexpected result implies that the electrons in this material are experiencing a unique scattering process. This scattering is intrinsic and we suggest that the uranium f electrons do not hybridize to form a coherent Fermi liquid but instead act like a dense array of elastic impurities, interacting incoherently with the charge carriers. This behavior is not restricted to URu(2)Si(2). Fermi liquid-like states with b ≠ 4 have been observed in a number of disparate systems, but the significance of this result has not been recognized.

Optical spectroscopy shows that the normal state of URu2Si2 is an anomalous Fermi liquid

PubMed Central

Nagel, Urmas; Uleksin, Taaniel; Rõõm, Toomas; Lobo, Ricardo P. S. M.; Lejay, Pascal; Homes, Christopher C.; Hall, Jesse S.; Kinross, Alison W.; Purdy, Sarah K.; Munsie, Tim; Williams, Travis J.; Luke, Graeme M.; Timusk, Thomas

2012-01-01

Fermi showed that, as a result of their quantum nature, electrons form a gas of particles whose temperature and density follow the so-called Fermi distribution. As shown by Landau, in a metal the electrons continue to act like free quantum mechanical particles with enhanced masses, despite their strong Coulomb interaction with each other and the positive background ions. This state of matter, the Landau–Fermi liquid, is recognized experimentally by an electrical resistivity that is proportional to the square of the absolute temperature plus a term proportional to the square of the frequency of the applied field. Calculations show that, if electron-electron scattering dominates the resistivity in a Landau–Fermi liquid, the ratio of the two terms, b, has the universal value of b = 4. We find that in the normal state of the heavy Fermion metal URu2Si2, instead of the Fermi liquid value of 4, the coefficient b = 1 ± 0.1. This unexpected result implies that the electrons in this material are experiencing a unique scattering process. This scattering is intrinsic and we suggest that the uranium f electrons do not hybridize to form a coherent Fermi liquid but instead act like a dense array of elastic impurities, interacting incoherently with the charge carriers. This behavior is not restricted to URu2Si2. Fermi liquid-like states with b ≠ 4 have been observed in a number of disparate systems, but the significance of this result has not been recognized. PMID:23115333

Potentiometric Titrations for Measuring the Capacitance of Colloidal Photodoped ZnO Nanocrystals.

PubMed

Brozek, Carl K; Hartstein, Kimberly H; Gamelin, Daniel R

2016-08-24

Colloidal semiconductor nanocrystals offer a unique opportunity to bridge molecular and bulk semiconductor redox phenomena. Here, potentiometric titration is demonstrated as a method for quantifying the Fermi levels and charging potentials of free-standing colloidal n-type ZnO nanocrystals possessing between 0 and 20 conduction-band electrons per nanocrystal, corresponding to carrier densities between 0 and 1.2 × 10(20) cm(-3). Potentiometric titration of colloidal semiconductor nanocrystals has not been described previously, and little precedent exists for analogous potentiometric titration of any soluble reductants involving so many electrons. Linear changes in Fermi level vs charge-carrier density are observed for each ensemble of nanocrystals, with slopes that depend on the nanocrystal size. Analysis indicates that the ensemble nanocrystal capacitance is governed by classical surface electrical double layers, showing no evidence of quantum contributions. Systematic shifts in the Fermi level are also observed with specific changes in the identity of the charge-compensating countercation. As a simple and contactless alternative to more common thin-film-based voltammetric techniques, potentiometric titration offers a powerful new approach for quantifying the redox properties of colloidal semiconductor nanocrystals.

Probing topological Fermi-Arcs and bulk boundary correspondence in the Weyl semimetal TaAs

NASA Astrophysics Data System (ADS)

Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim

The relation between surface Fermi-arcs and bulk Weyl cones in a Weyl semimetal, uniquely allows to study the notion of bulk to surface correspondence. We visualize these topological Fermi arc states on the surface of the Weyl semi-metal tantalum arsenide using scanning tunneling spectroscopy. Its surface hosts 12 Fermi arcs amongst several other surface bands of non-topological origin. We detect the possible scattering processes of surface bands in which Fermi arcs are involved including intra- and inter arc scatterings and arc-trivial scatterings. Each of the measured scattering processes entails additional information on the unique nature of Fermi arcs in tantalum arsenide: their contour, their energy-momentum dispersion and its relation with the bulk Weyl nodes. We further identify a sharp distinction between the wave function's spatial distribution of topological versus trivial bands. The non-topological surface bands, which are derived from the arsenic dangling bonds, are tightly bound to the arsenic termination layer. In contrast, the Fermi-arc bands reside on the deeper tantalum layer, penetrating into the bulk, which is predominantly derived from tantalum orbitals.

Signatures of Phonon and Defect-Assisted Tunneling in Planar Metal-Hexagonal Boron Nitride-Graphene Junctions.

PubMed

Chandni, U; Watanabe, K; Taniguchi, T; Eisenstein, J P

2016-12-14

Electron tunneling spectroscopy measurements on van der Waals heterostructures consisting of metal and graphene (or graphite) electrodes separated by atomically thin hexagonal boron nitride tunnel barriers are reported. The tunneling conductance, dI/dV, at low voltages is relatively weak, with a strong enhancement reproducibly observed to occur at around |V| ≈ 50 mV. While the weak tunneling at low energies is attributed to the absence of substantial overlap, in momentum space, of the metal and graphene Fermi surfaces, the enhancement at higher energies signals the onset of inelastic processes in which phonons in the heterostructure provide the momentum necessary to link the Fermi surfaces. Pronounced peaks in the second derivative of the tunnel current, d 2 I/dV 2 , are observed at voltages where known phonon modes in the tunnel junction have a high density of states. In addition, features in the tunneling conductance attributed to single electron charging of nanometer-scale defects in the boron nitride are also observed in these devices. The small electronic density of states of graphene allows the charging spectra of these defect states to be electrostatically tuned, leading to "Coulomb diamonds" in the tunneling conductance.

Temperature-induced Lifshitz transition in WTe 2

DOE PAGES

Wu, Yun; Jo, Na Hyun; Ochi, Masayuki; ...

2015-10-12

In this study, we use ultrahigh resolution, tunable, vacuum ultraviolet laser-based, angle-resolved photoemission spectroscopy (ARPES), temperature- and field-dependent resistivity, and thermoelectric power (TEP) measurements to study the electronic properties of WTe 2, a compound that manifests exceptionally large, temperature-dependent magnetoresistance. The Fermi surface consists of two pairs of electron and two pairs of hole pockets along the X–Γ–X direction. Using detailed ARPES temperature scans, we find a rare example of a temperature-induced Lifshitz transition at T≃160 K, associated with the complete disappearance of the hole pockets. Our electronic structure calculations show a clear and substantial shift of the chemical potentialmore » μ(T) due to the semimetal nature of this material driven by modest changes in temperature. This change of Fermi surface topology is also corroborated by the temperature dependence of the TEP that shows a change of slope at T≈175 K and a breakdown of Kohler’s rule in the 70–140 K range. Our results and the mechanisms driving the Lifshitz transition and transport anomalies are relevant to other systems, such as pnictides, 3D Dirac semimetals, and Weyl semimetals.« less

Time-resolved X-ray Absorption Spectroscopy for Electron Transport Study in Warm Dense Gold

NASA Astrophysics Data System (ADS)

Lee, Jong-Won; Bae, Leejin; Engelhorn, Kyle; Heimann, Philip; Ping, Yuan; Barbrel, Ben; Fernandez, Amalia; Beckwith, Martha Anne; Cho, Byoung-Ick; GIST Team; IBS Team; LBNL Collaboration; SLAC Collaboration; LLNL Collaboration

2015-11-01

The warm dense Matter represents states of which the temperature is comparable to Fermi energy and ions are strongly coupled. One of the experimental techniques to create such state in the laboratory condition is the isochoric heating of thin metal foil with femtosecond laser pulses. This concept largely relies on the ballistic transport of electrons near the Fermi-level, which were mainly studied for the metals in ambient conditions. However, they were barely investigated in warm dense conditions. We present a time-resolved x-ray absorption spectroscopy measured for the Au/Cu dual layered sample. The front Au layer was isochorically heated with a femtosecond laser pulse, and the x-ray absorption changes around L-edge of Cu, which was attached on the backside of Au, was measured with a picosecond resolution. Time delays between the heating of the `front surface' of Au layer and the alternation of x-ray spectrum of Cu attached on the `rear surface' of Au indicate the energetic electron transport mechanism through Au in the warm dense conditions. IBS (IBS-R012-D1) and the NRF (No. 2013R1A1A1007084) of Korea.

Magnetotransport properties of MoP 2

DOE PAGES

Wang, Aifeng; Graf, D.; Stein, Aaron; ...

2017-11-02

We report magnetotransport and de Haas–van Alphen (dHvA) effect studies on MoP 2 single crystals, predicted to be a type- II Weyl semimetal with four pairs of robust Weyl points located below the Fermi level and long Fermi arcs. The temperature dependence of resistivity shows a peak before saturation, which does not move with magnetic field. Large nonsaturating magnetoresistance (MR) was observed, and the field dependence of MR exhibits a crossover from semiclassical weak-field B 2 dependence to the high-field linear-field dependence, indicating the presence of Dirac linear energy dispersion. In addition, a systematic violation of Kohler's rule was observed,more » consistent with multiband electronic transport. Strong spin-orbit coupling splitting has an effect on dHvA measurements whereas the angular-dependent dHvA orbit frequencies agree well with the calculated Fermi surface. The cyclotron effective mass ~1.6m e indicates the bands might be trivial, possibly since the Weyl points are located below the Fermi level.« less

High-resolution Compton scattering study of the electron momentum density in Al

NASA Astrophysics Data System (ADS)

Ohata, T.; Itou, M.; Matsumoto, I.; Sakurai, Y.; Kawata, H.; Shiotani, N.; Kaprzyk, S.; Mijnarends, P. E.; Bansil, A.

2000-12-01

We report high-resolution Compton profiles (CP's) of Al along the three principal symmetry directions at a photon energy of 59.38 keV, together with corresponding highly accurate theoretical profiles obtained within the local-density approximation (LDA) based band-theory framework. A good accord between theory and experiment is found with respect to the overall shapes of the CP's and their first and second derivatives, as well as the anisotropies in the CP's defined as differences between pairs of various CP's. There are, however, discrepancies in that, in comparison to the LDA predictions, the measured profiles are lower at low momenta, show a Fermi cutoff that is broader, and display a tail that is higher at momenta above the Fermi momentum. A number of simple model calculations are carried out in order to gain insight into the nature of the underlying 3D momentum density in Al and the role of the Fermi surface in inducing fine structure in the CP's. The present results when compared with those on Li show clearly that the size of discrepancies between theoretical and experimental CP's is markedly smaller in Al than in Li. This indicates that, with increasing electron density, the conventional picture of the electron gas becomes more representative of the momentum density and that shortcomings of the LDA framework in describing the electron correlation effects become less important.

Surface modification effects of fluorine-doped tin dioxide by oxygen plasma ion implantation

NASA Astrophysics Data System (ADS)

Tang, Peng; Liu, Cai; Zhang, Jingquan; Wu, Lili; Li, Wei; Feng, Lianghuan; Zeng, Guanggen; Wang, Wenwu

2018-04-01

SnO2:F (FTO), as a kind of transparent conductive oxide (TCO), exhibits excellent transmittance and conductivity and is widely used as transparency electrodes in solar cells. It's very important to modifying the surface of FTO for it plays a critical role in CdTe solar cells. In this study, modifying effects of oxygen plasma on FTO was investigated systematically. Oxygen plasma treatment on FTO surface with ion accelerating voltage ranged from 0.4 kV to 1.6 kV has been processed. The O proportion of surface was increased after ion implantation. The Fermi level of surface measurement by XPS valance band spectra was lowered as the ion accelerating voltage increased to 1.2 kV and then raised as accelerating voltage was elevated to 1.6 kV. The work function measured by Kelvin probe force microscopy increased after ion implanting, and it was consistent with the variation of Fermi level. The change of energy band structure of FTO surface mainly originated from the surface composition variation. As FTO conduction was primarily due to oxyanion hole, the carrier was electron and its concentration was reduced while O proportion was elevated at the surface of FTO, as a result, the Fermi level lowered and the work function was enlarged. It was proved that oxygen plasma treatment is an effective method to modulate the energy band structure of the surface as well as other properties of FTO, which provides much more space for interface and surface modification and then photoelectric device performance promotion.

Dimensional crossover and thermoelectric properties in CeTe2-xSbx single crystals

NASA Astrophysics Data System (ADS)

Rhyee, Jong-Soo; Lee, Kyung Eun; Nyeong Kim, Jae; Shim, Ji Hoon; Min, Byeong Hun; Kwon, Yong Seung

2013-03-01

Several years before, we proposed that the charge density wave is a new pathway for high thermoelectric performance in In4Se3-x bulk crystalline materials. (Nature v.459, p. 965, 2009) Recently, from the increase of the chemical potential by halogen doped In4Se3-xH0.03 (H =Halogen elements) crystals, we achieved high ZT (maximum ZT 1.53) over a wide temperature range. (Adv. Mater. v.23, p.2191, 2011) Here we demonstrate the low dimensionality increases power factor in CeTe2-xSbx single crystals. The band structures of CeTe2 show the 2-dimensional (2D) Fermi surface nesting behavior as well as a 3-dimensional (3D) electron Fermi surface hindering the perfect charge density wave (CDW) gap opening. By hole doping with the substitution of Sb at the Te-site, the 3D-like Fermi surface disappears and the 2D perfect CDW gap opening enhances the power factor up to x = 0.1. With further hole doping, the Fermi surfaces become 3-dimensional structure with heavy hole bands. The enhancement of the power factor is observed near the dimensional crossover of CDW, at x = 0.1, where the CDW gap is maximized. This research was supported by Basic Science Research Program (2011-0021335), Mid-career Research Program (Strategy) (No. 2012R1A2A1A03005174) through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology, and TJ Park Junior Faculty Fellowship funded by the POSCO TJ Park Foundation.

Surface to bulk Fermi arcs via Weyl nodes as topological defects

PubMed Central

Kim, Kun Woo; Lee, Woo-Ram; Kim, Yong Baek; Park, Kwon

2016-01-01

A hallmark of Weyl semimetal is the existence of surface Fermi arcs. An intriguing question is what determines the connectivity of surface Fermi arcs, when multiple pairs of Weyl nodes are present. To answer this question, we show that the locations of surface Fermi arcs are predominantly determined by the condition that the Zak phase integrated along the normal-to-surface direction is . The Zak phase can reveal the peculiar topological structure of Weyl semimetal directly in the bulk. Here, we show that the winding of the Zak phase around each projected Weyl node manifests itself as a topological defect of the Wannier–Stark ladder, energy eigenstates under an electric field. Remarkably, this leads to bulk Fermi arcs, open-line segments in the bulk spectra. Bulk Fermi arcs should exist in conjunction with surface counterparts to conserve the Weyl fermion number under an electric field, which is supported by explicit numerical evidence. PMID:27845342

Controlling resonant tunneling in graphene via Fermi velocity engineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lima, Jonas R. F., E-mail: jonas.lima@ufrpe.br; Pereira, Luiz Felipe C.; Bezerra, C. G.

We investigate the resonant tunneling in a single layer graphene superlattice with modulated energy gap and Fermi velocity via an effective Dirac-like Hamiltonian. We calculate the transmission coefficient with the transfer matrix method and analyze the effect of a Fermi velocity modulation on the electronic transmission, in the case of normal and oblique incidence. We find it is possible to manipulate the electronic transmission in graphene by Fermi velocity engineering, and show that it is possible to tune the transmitivity from 0 to 1. We also analyze how a Fermi velocity modulation influences the total conductance and the Fano factor.more » Our results are relevant for the development of novel graphene-based electronic devices.« less

Scanning-tunneling-microscopy-active empty states on the (benzene + CO)/Rh(111) surface investigated by inverse photoemission

NASA Astrophysics Data System (ADS)

Netzer, Falko P.; Frank, Karl-Heinz

1989-09-01

The unoccupied electronic states of the benzene + CO coadsorption system on Rh(111) have been investigated by inverse photoemission spectroscopy. The benzene and CO derived lowest unoccupied molecular orbitals (e2u and b2g for benzene and 2π* for CO) have been identified in the region 2.3-6.5 eV above the Fermi level. For the ordered (3×3) benzene + CO surface indications of enhanced density of states (DOS) within 0.5 eV of the Fermi level are found. This enhancement of the DOS may be associated with hybridized metal-benzene states, which have been invoked to be involved in the imaging process of the molecular entities in a recent scanning-tunneling-microscopy investigation of this system.

Fermi-surface-free superconductivity in underdoped (Bi,Pb)(Sr,La) 2CuO 6+δ (Bi2201)

DOE PAGES

Mistark, Peter; Hafiz, Hasnain; Markiewicz, Robert S.; ...

2015-06-18

Fermi-surface-free superconductivity arises when the superconducting order pulls down spectral weight from a band that is completely above the Fermi energy in the normal state. Here, we show that this can arise in hole-doped cuprates when a competing order causes a reconstruction of the Fermi surface. The change in Fermi surface topology is accompanied by a characteristic rise in the spectral weight. Finally, our results support the presence of a trisected superconducting dome, and suggest that superconductivity is responsible for stabilizing the (π,π) magnetic order at higher doping.

Interplay between structure, stoichiometry, and electron transfer dynamics in SILAR-based quantum dot-sensitized oxides.

PubMed

Wang, Hai; Barceló, Irene; Lana-Villarreal, Teresa; Gómez, Roberto; Bonn, Mischa; Cánovas, Enrique

2014-10-08

We quantify the rate and efficiency of picosecond electron transfer (ET) from PbS nanocrystals, grown by successive ionic layer adsorption and reaction (SILAR), into a mesoporous SnO2 support. Successive SILAR deposition steps allow for stoichiometry- and size-variation of the QDs, characterized using transmission electron microscopy. Whereas for sulfur-rich (p-type) QD surfaces substantial electron trapping at the QD surface occurs, for lead-rich (n-type) QD surfaces, the QD trapping channel is suppressed and the ET efficiency is boosted. The ET efficiency increase achieved by lead-rich QD surfaces is found to be QD-size dependent, increasing linearly with QD surface area. On the other hand, ET rates are found to be independent of both QD size and surface stoichiometry, suggesting that the donor-acceptor energetics (constituting the driving force for ET) are fixed due to Fermi level pinning at the QD/oxide interface. Implications of our results for QD-sensitized solar cell design are discussed.

Influence of metallic surface states on electron affinity of epitaxial AlN films

NASA Astrophysics Data System (ADS)

Mishra, Monu; Krishna, Shibin; Aggarwal, Neha; Gupta, Govind

2017-06-01

The present article investigates surface metallic states induced alteration in the electron affinity of epitaxial AlN films. AlN films grown by plasma-assisted molecular beam epitaxy system with (30% and 16%) and without metallic aluminium on the surface were probed via photoemission spectroscopic measurements. An in-depth analysis exploring the influence of metallic aluminium and native oxide on the electronic structure of the films is performed. It was observed that the metallic states pinned the Fermi Level (FL) near valence band edge and lead to the reduction of electron affinity (EA). These metallic states initiated charge transfer and induced changes in surface and interface dipoles strength. Therefore, the EA of the films varied between 0.6-1.0 eV due to the variation in contribution of metallic states and native oxide. However, the surface barrier height (SBH) increased (4.2-3.5 eV) adversely due to the availability of donor-like surface states in metallic aluminium rich films.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hartstein, M.; Toews, W. H.; Hsu, Y. -T.

The search for a Fermi surface in the absence of a conventional Fermi liquid has thus far yielded very few potential candidates. Among promising materials are spin-frustrated Mott insulators near the insulator–metal transition, where theory predicts a Fermi surface associated with neutral low-energy excitations. In this paper, we reveal another route to experimentally realize a Fermi surface in the absence of a Fermi liquid by the experimental study of a Kondo insulator SmB 6 positioned close to the insulator–metal transition. We present experimental signatures down to low temperatures (<<1 K) associated with a Fermi surface in the bulk, including amore » sizeable linear specific heat coefficient, and on the application of a finite magnetic field, bulk magnetic quantum oscillations, finite quantum oscillatory entropy, and substantial enhancement in thermal conductivity well below the charge gap energy scale. Finally, the weight of evidence indicates that despite an extreme instance of Fermi liquid breakdown in Kondo insulating SmB 6, a Fermi surface arises from novel itinerant low-energy excitations that couple to magnetic fields, but not weak DC electric fields.« less

Weakly-Correlated Nature of Ferromagnetism in Nonsymmorphic CrO2 Revealed by Bulk-Sensitive Soft-X-Ray ARPES

NASA Astrophysics Data System (ADS)

Bisti, F.; Rogalev, V. A.; Karolak, M.; Paul, S.; Gupta, A.; Schmitt, T.; Güntherodt, G.; Eyert, V.; Sangiovanni, G.; Profeta, G.; Strocov, V. N.

2017-10-01

Chromium dioxide CrO2 belongs to a class of materials called ferromagnetic half-metals, whose peculiar aspect is that they act as a metal in one spin orientation and as a semiconductor or insulator in the opposite one. Despite numerous experimental and theoretical studies motivated by technologically important applications of this material in spintronics, its fundamental properties such as momentum-resolved electron dispersions and the Fermi surface have so far remained experimentally inaccessible because of metastability of its surface, which instantly reduces to amorphous Cr2O3 . In this work, we demonstrate that direct access to the native electronic structure of CrO2 can be achieved with soft-x-ray angle-resolved photoemission spectroscopy whose large probing depth penetrates through the Cr2O3 layer. For the first time, the electronic dispersions and Fermi surface of CrO2 are measured, which are fundamental prerequisites to solve the long debate on the nature of electronic correlations in this material. Since density functional theory augmented by a relatively weak local Coulomb repulsion gives an exhaustive description of our spectroscopic data, we rule out strong-coupling theories of CrO2 . Crucial for the correct interpretation of our experimental data in terms of the valence-band dispersions is the understanding of a nontrivial spectral response of CrO2 caused by interference effects in the photoemission process originating from the nonsymmorphic space group of the rutile crystal structure of CrO2 .

Tunability of the topological nodal-line semimetal phase in ZrSi X -type materials ( X = S ,   Se ,   Te )

DOE PAGES

Hosen, M. Mofazzel; Dimitri, Klauss; Belopolski, Ilya; ...

2017-04-03

The discovery of a topological nodal-line (TNL) semimetal phase in ZrSiS has invigorated the study of other members of this family. In this paper, we present a comparative electronic structure study ofmore » $$\\mathrm{ZrSi}X$$ (where $$X=\\text{S}$$, Se, Te) using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. Our ARPES studies show that the overall electronic structure of $$\\mathrm{ZrSi}X$$ materials comprises the diamond-shaped Fermi pocket, the nearly elliptical-shaped Fermi pocket, and a small electron pocket encircling the zone center ($$\\mathrm{{\\Gamma}}$$) point, the $M$ point, and the $X$ point of the Brillouin zone, respectively. We also observe a small Fermi surface pocket along the $$M{-}\\mathrm{{\\Gamma}}{-}M$$ direction in ZrSiTe, which is absent in both ZrSiS and ZrSiSe. Furthermore, our theoretical studies show a transition from nodal-line to nodeless gapped phase by tuning the chalcogenide from S to Te in these material systems. Finally, our findings provide direct evidence for the tunability of the TNL phase in $$\\mathrm{ZrSi}X$$ material systems by adjusting the spin-orbit coupling strength via the $X$ anion.« less

A new NH 3 orbital of the NH 3/Ni(110) surface observed by metastable quenching spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Lihwa; Arias, Jose; Hanrahan, Ciaran; Martin, Richard M.; Metiu, Horia

By using metastable quenching spectroscopy we have found a new NH 3 filled orbital (in the language of one electron theory) for NH 3/Ni(110), located at the Fermi level of the surface. The orbital is not observed when NH 3 is adsorbed on Ni(111) and O/Ni(110), but it is detected for NH 3 adsorbed on polycrystalline Al.

Trial wave functions for a composite Fermi liquid on a torus

NASA Astrophysics Data System (ADS)

Fremling, M.; Moran, N.; Slingerland, J. K.; Simon, S. H.

2018-01-01

We study the two-dimensional electron gas in a magnetic field at filling fraction ν =1/2 . At this filling the system is in a gapless state which can be interpreted as a Fermi liquid of composite fermions. We construct trial wave functions for the system on a torus, based on this idea, and numerically compare these to exact wave functions for small systems found by exact diagonalization. We find that the trial wave functions give an excellent description of the ground state of the system, as well as its charged excitations, in all momentum sectors. We analyze the dispersion of the composite fermions and the Berry phase associated with dragging a single fermion around the Fermi surface and comment on the implications of our results for the current debate on whether composite fermions are Dirac fermions.

On the Mechanism of D-Wave High TC Superconductivity by the Interplay of Jahn-Teller Physics and Mott Physics

NASA Astrophysics Data System (ADS)

Ushio, H.; Matsuno, S.; Kamimura, H.

2011-01-01

In the present paper we will discuss two important roles of the interplay of Jahn-Teller physics and Mott physics. One is the small Fermi surface. The "Fermi arcs" observed in ARPES should be one of the edges of small Fermi pockets, based on the Kamimura-Suwa model (K-S model). This prediction is consistent with ARPES results by Tanaka et al. Another is the mechanism of superconductivity in cuprates. This can be explained by the interplay of strong electron-phonon interactions and local AF order. It is shown that the characteristic phase difference of wave functions between up- and down-spin carriers in the presence of the local AF order leads to the superconducting gap of dx2-y2 symmetry even in the phonon-involved mechanism.

Electron-beam-induced potentials in semiconductors: calculation and measurement with an SEM/SPM hybrid system

NASA Astrophysics Data System (ADS)

Thomas, Ch; Joachimsthaler, I.; Heiderhoff, R.; Balk, L. J.

2004-10-01

In this work electron-beam-induced potentials are analysed theoretically and experimentally for semiconductors. A theoretical model is developed to describe the surface potential distribution produced by an electron beam. The distribution of generated carriers is calculated using semiconductor equations. This distribution causes a local change in surface potential, which is derived with the help of quasi-Fermi energies. The potential distribution is simulated using the model developed and measured with a scanning probe microscope (SPM) built inside a scanning electron microscope (SEM), for different samples, for different beam excitations and for different cantilever voltages of SPM. In the end, some fields of application are shown where material properties can be determined using an SEM/SPM hybrid system.

Superconductivity mediated by quantum critical antiferromagnetic fluctuations: the rise and fall of hot spots

NASA Astrophysics Data System (ADS)

Wang, Xiaoyu; Schattner, Yoni; Berg, Erez; Fernandes, Rafael

The maximum transition temperature Tc observed in the phase diagrams of several unconventional superconductors takes place in the vicinity of a putative antiferromagnetic quantum critical point. This observation motivated the theoretical proposal that superconductivity in these systems may be driven by quantum critical fluctuations, which in turn can also promote non-Fermi liquid behavior. In this talk, we present a combined analytical and sign-problem-free Quantum Monte Carlo investigation of the spin-fermion model - a widely studied low-energy model for the interplay between superconductivity and magnetic fluctuations. By engineering a series of band dispersions that interpolate between near-nested and open Fermi surfaces, and by also varying the strength of the spin-fermion interaction, we find that the hot spots of the Fermi surface provide the dominant contribution to the pairing instability in this model. We show that the analytical expressions for Tc and for the pairing susceptibility, obtained within a large-N Eliashberg approximation to the spin-fermion model, agree well with the Quantum Monte Carlo data, even in the regime of interactions comparable to the electronic bandwidth. DE-SC0012336.

Fermiology of Ce2 Rh3 Ge5

NASA Astrophysics Data System (ADS)

Wartenbe, Mark

The competition between localized and delocalized f electrons in heavy fermion materials produces a wide variety of interesting physical phenomena. Among these compounds is Ce2Rh3Ge5. This heavy-fermion system undergoes an antiferromagnetic transition below 4K and exhibits an angle dependent magnetic phase transition around 25 tesla. In addition, RF conductivity measurements in pulsed field (65T) have revealed quantum oscillations. Temperature dependence at fixed angle indicates relatively heavy effective masses of values ranging from ~3me on up to ~10me. This indicates that the narrow f-electron density of states is partially hybridized close to the Fermi energy, but also places strict cryogenic constraints upon the measurement (3Helium temperatures are required). Fermi surface calculations have produced complex figures which lend validation to such rich behavior. Presented are updated measurements including magnetization and revised theoretical calculations..

Enhanced Electromagnetic and Chemical/Biological Sensing. Properties of Atomic Cluster-Derived Materials

DTIC Science & Technology

2003-02-24

electron injection at interfaces, analysis of the voltage dependence of the electrostatic potential across molecules, the nature of binding at the...nanoscale titania into a metallic surface), analysis of the so-called band lineup between the molecular levels and the Fermi levels of the metal...observe the CNT’s in the electron microscope with the possibility to manipulate them externally and to apply potentials to them. These new

Small Fermi surfaces of PtSn4 and Pt3In7

NASA Astrophysics Data System (ADS)

Yara, T.; Kakihana, M.; Nishimura, K.; Hedo, M.; Nakama, T.; Ōnuki, Y.; Harima, H.

2018-05-01

An extremely large magnetoresistance of PtSn4 has been recently observed and discussed from a viewpoint of de Haas-van Alphen (dHvA) oscillations and theoretical small Fermi surfaces. We have studied precisely the Fermi surfaces by measuring angular dependences of dHvA frequencies and have also carried out the full potential LAPW band calculation. Furthermore, small Fermi surfaces have been detected in another Pt-based compound of Pt3In7 with the cubic structure.

Evolution of electronic states in n-type copper oxide superconductor via electric double layer gating

NASA Astrophysics Data System (ADS)

Jin, Kui; Hu, Wei; Zhu, Beiyi; Kim, Dohun; Yuan, Jie; Sun, Yujie; Xiang, Tao; Fuhrer, Michael S.; Takeuchi, Ichiro; Greene, Richard. L.

2016-05-01

The occurrence of electrons and holes in n-type copper oxides has been achieved by chemical doping, pressure, and/or deoxygenation. However, the observed electronic properties are blurred by the concomitant effects such as change of lattice structure, disorder, etc. Here, we report on successful tuning the electronic band structure of n-type Pr2-xCexCuO4 (x = 0.15) ultrathin films, via the electric double layer transistor technique. Abnormal transport properties, such as multiple sign reversals of Hall resistivity in normal and mixed states, have been revealed within an electrostatic field in range of -2 V to + 2 V, as well as varying the temperature and magnetic field. In the mixed state, the intrinsic anomalous Hall conductivity invokes the contribution of both electron and hole-bands as well as the energy dependent density of states near the Fermi level. The two-band model can also describe the normal state transport properties well, whereas the carrier concentrations of electrons and holes are always enhanced or depressed simultaneously in electric fields. This is in contrast to the scenario of Fermi surface reconstruction by antiferromagnetism, where an anti-correlation is commonly expected.

Self-consistent modelling of electrochemical strain microscopy in mixed ionic-electronic conductors: Nonlinear and dynamic regimes

DOE PAGES

Varenyk, O. V.; Silibin, M. V.; Kiselev, Dmitri A.; ...

2015-08-19

The frequency dependent Electrochemical Strain Microscopy (ESM) response of mixed ionic-electronic conductors is analyzed within the framework of Fermi-Dirac statistics and the Vegard law, accounting for steric effects from mobile donors. The emergence of dynamic charge waves and nonlinear deformation of the surface in response to bias applied to the tip-surface junction is numerically explored. The 2D maps of the strain and concentration distributions across the mixed ionic-electronic conductor and bias-induced surface displacements are calculated. Furthermore, the obtained numerical results can be applied to quantify the ESM response of Li-based solid electrolytes, materials with resistive switching, and electroactive ferroelectric polymers,more » which are of potential interest for flexible and high-density non-volatile memory devices.« less

Self-consistent modelling of electrochemical strain microscopy in mixed ionic-electronic conductors: Nonlinear and dynamic regimes

NASA Astrophysics Data System (ADS)

Varenyk, O. V.; Silibin, M. V.; Kiselev, D. A.; Eliseev, E. A.; Kalinin, S. V.; Morozovska, A. N.

2015-08-01

The frequency dependent Electrochemical Strain Microscopy (ESM) response of mixed ionic-electronic conductors is analyzed within the framework of Fermi-Dirac statistics and the Vegard law, accounting for steric effects from mobile donors. The emergence of dynamic charge waves and nonlinear deformation of the surface in response to bias applied to the tip-surface junction is numerically explored. The 2D maps of the strain and concentration distributions across the mixed ionic-electronic conductor and bias-induced surface displacements are calculated. The obtained numerical results can be applied to quantify the ESM response of Li-based solid electrolytes, materials with resistive switching, and electroactive ferroelectric polymers, which are of potential interest for flexible and high-density non-volatile memory devices.

Spreadsheet Modeling of Electron Distributions in Solids

ERIC Educational Resources Information Center

Glassy, Wingfield V.

2006-01-01

A series of spreadsheet modeling exercises constructed as part of a new upper-level elective course on solid state materials and surface chemistry is described. The spreadsheet exercises are developed to provide students with the opportunity to interact with the conceptual framework where the role of the density of states and the Fermi-Dirac…

Continuum Lowering and Fermi-Surface Rising in Strongly Coupled and Degenerate Plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, S. X.

Here, continuum lowering is a well-known and important physics concept that describes the ionization potential depression (IPD) in plasmas caused by thermal-/pressure-induced ionization of outer-shell electrons. The existing IPD models are often used to characterize plasma conditions and to gauge opacity calculations. Recent precision measurements have revealed deficits in our understanding of continuum lowering in dense hot plasmas. However, these investigations have so far been limited to IPD in strongly coupled but nondegenerate plasmas. Here, we report a first-principles study of the K-edge shifting in both strongly coupled and fully degenerate carbon plasmas, with quantum molecular dynamics (QMD) calculations basedmore » on the all-electron density-functional theory (DFT). The resulted K-edge shifting versus plasma density, as a probe to the continuum lowering and the Fermi-surface rising, is found to be significantly different from predictions of existing IPD models. In contrast, a simple model of “single atom in box” (SAIB), developed in this work, accurately predicts K-edge locations as what ab-initio calculations provide.« less

Continuum Lowering and Fermi-Surface Rising in Strongly Coupled and Degenerate Plasmas

DOE PAGES

Hu, S. X.

2017-08-10

Here, continuum lowering is a well-known and important physics concept that describes the ionization potential depression (IPD) in plasmas caused by thermal-/pressure-induced ionization of outer-shell electrons. The existing IPD models are often used to characterize plasma conditions and to gauge opacity calculations. Recent precision measurements have revealed deficits in our understanding of continuum lowering in dense hot plasmas. However, these investigations have so far been limited to IPD in strongly coupled but nondegenerate plasmas. Here, we report a first-principles study of the K-edge shifting in both strongly coupled and fully degenerate carbon plasmas, with quantum molecular dynamics (QMD) calculations basedmore » on the all-electron density-functional theory (DFT). The resulted K-edge shifting versus plasma density, as a probe to the continuum lowering and the Fermi-surface rising, is found to be significantly different from predictions of existing IPD models. In contrast, a simple model of “single atom in box” (SAIB), developed in this work, accurately predicts K-edge locations as what ab-initio calculations provide.« less

Dramatic changes in the electronic structure upon transition to the collapsed tetragonal phase in CaFe 2As 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhaka, R. S.; Jiang, Rui; Ran, S.

2014-01-31

We use angle-resolved photoemission spectroscopy and density functional theory calculations to study the electronic structure of CaFe 2As 2 in the collapsed tetragonal (CT) phase. This unusual phase of iron arsenic high-temperature superconductors was hard to measure as it exists only under pressure. By inducing internal strain, via the postgrowth thermal treatment of single crystals, we were able to stabilize the CT phase at ambient pressure. We find significant differences in the Fermi surface topology and band dispersion data from the more common orthorhombic-antiferromagnetic or tetragonal-paramagnetic phases, consistent with electronic structure calculations. The top of the hole bands sinks belowmore » the Fermi level, which destroys the nesting present in parent phases. The absence of nesting in this phase, along with an apparent loss of Fe magnetic moment, are now clearly experimentally correlated with the lack of superconductivity in this phase.« less

Emptying Dirac valleys in bismuth using high magnetic fields

DOE PAGES

Zhu, Zengwei; Wang, Jinhua; Zuo, Huakun; ...

2017-05-19

The Fermi surface of elemental bismuth consists of three small rotationally equivalent electron pockets, offering a valley degree of freedom to charge carriers. A relatively small magnetic field can confine electrons to their lowest Landau level. This is the quantum limit attained in other dilute metals upon application of sufficiently strong magnetic field. Here in this paper we report on the observation of another threshold magnetic field never encountered before in any other solid. Above this field, B empty, one or two valleys become totally empty. Drying up a Fermi sea by magnetic field in the Brillouin zone leads tomore » a manyfold enhancement in electric conductance. We trace the origin of the large drop in magnetoresistance across B empty to transfer of carriers between valleys with highly anisotropic mobilities. The non-interacting picture of electrons with field-dependent mobility explains most results but the Coulomb interaction may play a role in shaping the fine details.« less

Charge-density-wave partial gap opening in quasi-2D KMo 6O 17 purple bronze studied by angle resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Valbuena, M. A.; Avila, J.; Pantin, V.; Drouard, S.; Guyot, H.; Asensio, M. C.

2006-05-01

Low dimensional (LD) metallic oxides have been a subject of continuous interest in the last two decades, mainly due to the electronic instabilities that they present at low temperatures. In particular, charge density waves (CDW) instabilities associated with a strong electron-phonon interaction have been found in Molybdenum metallic oxides such as KMo 6O 17 purple bronze. We report an angle resolved photoemission (ARPES) study from room temperature (RT) to T ˜40 K well below the Peierls transition temperature for this material, with CDW transition temperature TCDW ˜120 K. We have focused on photoemission spectra along ΓM high symmetry direction as well as photoemission measurements were taken as a function of temperature at one representative kF point in the Brillouin zone in order to look for the characteristic gap opening after the phase transition. We found out a pseudogap opening and a decrease in the density of states near the Fermi energy, EF, consistent with the partial removal of the nested portions of the Fermi surface (FS) at temperature below the CDW transition. In order to elucidate possible Fermi liquid (FL) or non-Fermi liquid (NFL) behaviour we have compared the ARPES data with that one reported on quasi-1D K 0.3MoO 3 blue bronze.

Exploring the Extreme Universe with the Fermi Gamma-Ray Space Telescope

NASA Technical Reports Server (NTRS)

Thompson, D. J.

2010-01-01

Because high-energy gamma rays are produced by powerful sources, the Fermi Gamma-ray Space Telescope provides a window on extreme conditions in the Universe. Some key observations of the constantly changing gamma-ray sky include: (1) Gamma-rays from pulsars appear to come from a region well above the surface of the neutron star; (2) Multiwavelength studies of blazars show that simple models of jet emission are not always adequate to explain what is seen; (3) Gamma-ray bursts can constrain models of quantum gravity; (4) Cosmic-ray electrons at energies approaching 1 TeV suggest a local source for some of these particles.

s± pairing near a Lifshitz transition

DOE PAGES

Mishra, Vivek; Scalapino, Douglas J.; Maier, Thomas A.

2016-08-26

Observations of robust superconductivity in some of the iron based superconductors in the vicinity of a Lifshitz point where a spin density wave instability is suppressed as the hole band drops below the Fermi energy raise questions for spin-fluctuation theories. In this paper we discuss spin-fluctuation pairing for a bilayer Hubbard model, which goes through such a Lifshitz transition. Our results show s± pairing with a transition temperature that peaks beyond the Lifshitz point and a gap function that has essentially the same magnitude but opposite sign on the incipient hole band as it does on the electron band thatmore » has a Fermi surface.« less

Do the surface Fermi arcs in Weyl semimetals survive disorder?

NASA Astrophysics Data System (ADS)

Wilson, Justin H.; Pixley, J. H.; Huse, David A.; Refael, Gil; Das Sarma, S.

2018-06-01

We theoretically study the topological robustness of the surface physics induced by Weyl Fermi-arc surface states in the presence of short-ranged quenched disorder and surface-bulk hybridization. This is investigated with numerically exact calculations on a lattice model exhibiting Weyl Fermi arcs. We find that the Fermi-arc surface states, in addition to having a finite lifetime from disorder broadening, hybridize with nonperturbative bulk rare states making them no longer bound to the surface (i.e., they lose their purely surface spectral character). Thus, we provide strong numerical evidence that the Weyl Fermi arcs are not topologically protected from disorder. Nonetheless, the surface chiral velocity is robust and survives in the presence of strong disorder, persisting all the way to the Anderson-localized phase by forming localized current loops that live within the localization length of the surface. Thus, the Weyl semimetal is not topologically robust to the presence of disorder, but the surface chiral velocity is.

Quasiparticles and charge transfer at the two surfaces of the honeycomb iridate Na2IrO3

NASA Astrophysics Data System (ADS)

Moreschini, L.; Lo Vecchio, I.; Breznay, N. P.; Moser, S.; Ulstrup, S.; Koch, R.; Wirjo, J.; Jozwiak, C.; Kim, K. S.; Rotenberg, E.; Bostwick, A.; Analytis, J. G.; Lanzara, A.

2017-10-01

Direct experimental investigations of the low-energy electronic structure of the Na2IrO3 iridate insulator are sparse and draw two conflicting pictures. One relies on flat bands and a clear gap, the other involves dispersive states approaching the Fermi level, pointing to surface metallicity. Here, by a combination of angle-resolved photoemission, photoemission electron microscopy, and x-ray absorption, we show that the correct picture is more complex and involves an anomalous band, arising from charge transfer from Na atoms to Ir-derived states. Bulk quasiparticles do exist, but in one of the two possible surface terminations the charge transfer is smaller and they remain elusive.

Correlation-Induced Self-Doping in the Iron-Pnictide Superconductor Ba2Ti2Fe2As4O

NASA Astrophysics Data System (ADS)

Ma, J.-Z.; van Roekeghem, A.; Richard, P.; Liu, Z.-H.; Miao, H.; Zeng, L.-K.; Xu, N.; Shi, M.; Cao, C.; He, J.-B.; Chen, G.-F.; Sun, Y.-L.; Cao, G.-H.; Wang, S.-C.; Biermann, S.; Qian, T.; Ding, H.

2014-12-01

The electronic structure of the iron-based superconductor Ba2Ti2Fe2As4O (Tconset=23.5 K ) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field theory calculations. The electronic states near the Fermi level are dominated by both the Fe 3 d and Ti 3 d orbitals, indicating that the spacer layers separating different FeAs layers are also metallic. By counting the enclosed volumes of the Fermi surface sheets, we observe a large self-doping effect; i.e., 0.25 electrons per unit cell are transferred from the FeAs layer to the Ti2As2O layer, leaving the FeAs layer in a hole-doped state. This exotic behavior is successfully reproduced by our dynamical mean field calculations, in which the self-doping effect is attributed to the electronic correlations in the 3 d shells. Our work provides an alternative route of effective doping without element substitution for iron-based superconductors.

Momentum density and Fermi surface of Nd2-xCexCuO4-δ

NASA Astrophysics Data System (ADS)

Shukla, A.; Barbiellini, B.; Hoffmann, L.; Manuel, A. A.; Sadowski, W.; Walker, E.; Peter, M.

1996-02-01

High-temperature positron two-dimensional angular correlation of annihilation radiation (2D-ACAR) measurements have recently been succesfully applied to map parts of the Fermi surface of YBa2Cu3O7-δ. Using the same principle, we have been able to observe with a bulk sensitive method, the Fermi surface of Nd2-xCexCuO4-δ. Although positron trapping by defects and correlation effects are strong, positron 2D-ACAR measurements provide a signal from the Fermi surface which agrees with band-structure calculations, confirming earlier surface sensitive photoemission experiments.

Topological Properties and the Dynamical Crossover from Mixed-Valence to Kondo-Lattice Behavior in the Golden Phase of SmS.

PubMed

Kang, Chang-Jong; Choi, Hong Chul; Kim, Kyoo; Min, B I

2015-04-24

We have investigated temperature-dependent behaviors of electronic structure and resistivity in a mixed-valent golden phase of SmS, based on the dynamical mean-field-theory band-structure calculations. Upon cooling, the coherent Sm 4f bands are formed to produce the hybridization-induced pseudogap near the Fermi level, and accordingly the topology of the Fermi surface is changed to exhibit a Lifshitz-like transition. The surface states emerging in the bulk gap region are found to be not topologically protected states but just typical Rashba spin-polarized states, indicating that SmS is not a topological Kondo semimetal. From the analysis of anomalous resistivity behavior in SmS, we have identified universal energy scales, which characterize the Kondo-mixed-valent semimetallic systems.

Nonmagnetic impurity resonances as a signature of sign-reversal pairing in FeAs-based superconductors.

PubMed

Zhang, Degang

2009-10-30

The energy band structure of FeAs-based superconductors is fitted by a tight-binding model with two Fe ions per unit cell and two degenerate orbitals per Fe ion. Based on this, superconductivity with extended s-wave pairing symmetry of the form cosk(x)+cosk(y) is examined. The local density of states near an impurity is also investigated by using the T-matrix approach. For the nonmagnetic scattering potential, we found that there exist two major resonances inside the gap. The height of the resonance peaks depends on the strength of the impurity potential. These in-gap resonances are originated in the Andreev's bound states due to the quasiparticle scattering between the hole Fermi surfaces around Gamma point with positive order parameter and the electron Fermi surfaces around M point with negative order parameter.

Pressure variation of Rashba spin splitting toward topological transition in the polar semiconductor BiTeI

NASA Astrophysics Data System (ADS)

Ideue, T.; Checkelsky, J. G.; Bahramy, M. S.; Murakawa, H.; Kaneko, Y.; Nagaosa, N.; Tokura, Y.

2014-10-01

BiTeI is a polar semiconductor with gigantic Rashba spin-split bands in bulk. We have investigated the effect of pressure on the electronic structure of this material via magnetotransport. Periods of Shubunikov-de Haas (SdH) oscillations originating from the spin-split outer Fermi surface and inner Fermi surface show disparate responses to pressure, while the carrier number derived from the Hall effect is unchanged with pressure. The associated parameters which characterize the spin-split band structure are strongly dependent on pressure, reflecting the pressure-induced band deformation. We find the SdH oscillations and transport response are consistent with the theoretically proposed pressure-induced band deformation leading to a topological phase transition. Our analysis suggests the critical pressure for the quantum phase transition near Pc=3.5 GPa.

Positron Annihilation Studies of High-Temperature Superconductors and Related Compounds

NASA Astrophysics Data System (ADS)

Rayner, Simon

Available from UMI in association with The British Library. The work described in this thesis is concerned with the study of the electronic structure of the high T_{c} superconductor YBa _2Cu_3O _7 and related oxide compounds using the technique of two dimensional angular correlation of annihilation radiation. These compounds differ widely in their physical properties, ranging from materials such as nickel oxide, which is an insulator, to YBa_2Cu _3O_7 or ReO _3 which are superconducting over a certain temperature range. We have studied some of these compounds with a view to clarifying whether YBa _2Cu_3O_7 possessed a Fermi surface. The numerous theories that have been proposed to explain the observed superconducting phase of these materials can be classified into two main groups. The theories in the first group predict the existence of a quasi two dimensional Fermi surface whereas the remaining models do not but are based on an approach similar to that used to explain the observed electronic structure of the transition monoxides. The data obtained from our study of NiO, CoO and twinned crystals of YBa_2Cu _3O_7 was of low statistics and it was not possible to deduce anything of significance. However, we were able to deduce that, consistent with the predictions of theory, the positron was preferentially annihilating on the copper-oxygen chains. The data obtained from our measurement on untwinned crystals of YBa_2Cu_3 O_7 was of much higher statistics and we found one of clearest imaginable manifestations of a Fermi surface in the form of a ridge in the anisotropy of our data. The ridge is even more apparent in the LCW -folded spectra. The form and profile of the ridge are in substantial agreement with the theoretical predictions of a Gamma-X electron ridge section from the Cu-O chains.

Double-wells and double-layers in dusty Fermi-Dirac plasmas: Comparison with the semiclassical Thomas-Fermi counterpart

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akbari-Moghanjoughi, M.

Based on the quantum hydrodynamics (QHD) model, a new relationship between the electrostatic-potential and the electron-density in the ultradense plasma is derived. Propagation of arbitrary amplitude nonlinear ion waves is, then, investigated in a completely degenerate dense dusty electron-ion plasma, using this new energy relation for the relativistic electrons, in the ground of quantum hydrodynamics model and the results are compared to the case of semiclassical Thomas-Fermi dusty plasma. Based on the standard pseudopotential approach, it is remarked that the Fermi-Dirac plasma, in contrast to the Thomas-Fermi counterpart, accommodates a wide variety of nonlinear excitations such as positive/negative-potential ion solitarymore » and periodic waves, double-layers, and double-wells. It is also remarked that the relativistic degeneracy parameter which relates to the mass-density of plasma has significant effects on the allowed matching-speed range in Fermi-Dirac dusty plasmas.« less

Electronic structure of R Sb ( R = Y , Ce, Gd, Dy, Ho, Tm, Lu) studied by angle-resolved photoemission spectroscopy

DOE PAGES

Wu, Yun; Lee, Yongbin; Kong, Tai; ...

2017-07-15

Here, we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and electronic structure calculations to study the electronic properties of rare-earth monoantimonides RSb (R = Y, Ce, Gd, Dy, Ho, Tm, Lu). The experimentally measured Fermi surface (FS) of RSb consists of at least two concentric hole pockets at the Γ point and two intersecting electron pockets at the X point. These data agree relatively well with the electronic structure calculations. Detailed photon energy dependence measurements using both synchrotron and laser ARPES systems indicate that there is at least one Fermi surface sheet with strong three-dimensionality centered at the Γ point. Duemore » to the “lanthanide contraction”, the unit cell of different rare-earth monoantimonides shrinks when changing the rare-earth ion from CeSb to LuSb. This results in the differences in the chemical potentials in these compounds, which are demonstrated by both ARPES measurements and electronic structure calculations. Interestingly, in CeSb, the intersecting electron pockets at the X point seem to be touching the valence bands, forming a fourfold-degenerate Dirac-like feature. On the other hand, the remaining rare-earth monoantimonides show significant gaps between the upper and lower bands at the X point. Furthermore, similar to the previously reported results of LaBi, a Dirac-like structure was observed at the Γ point in YSb, CeSb, and GdSb, compounds showing relatively high magnetoresistance. This Dirac-like structure may contribute to the unusually large magnetoresistance in these compounds.« less

Electronic structure of R Sb ( R = Y , Ce, Gd, Dy, Ho, Tm, Lu) studied by angle-resolved photoemission spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yun; Lee, Yongbin; Kong, Tai

Here, we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and electronic structure calculations to study the electronic properties of rare-earth monoantimonides RSb (R = Y, Ce, Gd, Dy, Ho, Tm, Lu). The experimentally measured Fermi surface (FS) of RSb consists of at least two concentric hole pockets at the Γ point and two intersecting electron pockets at the X point. These data agree relatively well with the electronic structure calculations. Detailed photon energy dependence measurements using both synchrotron and laser ARPES systems indicate that there is at least one Fermi surface sheet with strong three-dimensionality centered at the Γ point. Duemore » to the “lanthanide contraction”, the unit cell of different rare-earth monoantimonides shrinks when changing the rare-earth ion from CeSb to LuSb. This results in the differences in the chemical potentials in these compounds, which are demonstrated by both ARPES measurements and electronic structure calculations. Interestingly, in CeSb, the intersecting electron pockets at the X point seem to be touching the valence bands, forming a fourfold-degenerate Dirac-like feature. On the other hand, the remaining rare-earth monoantimonides show significant gaps between the upper and lower bands at the X point. Furthermore, similar to the previously reported results of LaBi, a Dirac-like structure was observed at the Γ point in YSb, CeSb, and GdSb, compounds showing relatively high magnetoresistance. This Dirac-like structure may contribute to the unusually large magnetoresistance in these compounds.« less

Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition.

PubMed

Glazyrin, K; Pourovskii, L V; Dubrovinsky, L; Narygina, O; McCammon, C; Hewener, B; Schünemann, V; Wolny, J; Muffler, K; Chumakov, A I; Crichton, W; Hanfland, M; Prakapenka, V B; Tasnádi, F; Ekholm, M; Aichhorn, M; Vildosola, V; Ruban, A V; Katsnelson, M I; Abrikosov, I A

2013-03-15

We discover that hcp phases of Fe and Fe(0.9)Ni(0.1) undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio, and Mössbauer center shift observed in our experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe.

A maximally particle-hole asymmetric spectrum emanating from a semi-Dirac point.

PubMed

Quan, Yundi; Pickett, Warren E

2018-02-21

Tight binding models have proven an effective means of revealing Dirac (massless) dispersion, flat bands (infinite mass), and intermediate cases such as the semi-Dirac (sD) dispersion. This approach is extended to a three band model that yields, with chosen parameters in a two-band limit, a closed line with maximally asymmetric particle-hole dispersion: infinite mass holes, zero mass particles. The model retains the sD points for a general set of parameters. Adjacent to this limiting case, hole Fermi surfaces are tiny and needle-like. A pair of large electron Fermi surfaces at low doping merge and collapse at half filling to a flat (zero energy) closed contour with infinite mass along the contour and enclosing no carriers on either side, while the hole Fermi surface has shrunk to a point at zero energy, also containing no carriers. The tight binding model is used to study several characteristics of the dispersion and density of states. The model inspired generalization of sD dispersion to a general  ±[Formula: see text] form, for which analysis reveals that both n and m must be odd to provide a diabolical point with topological character. Evolution of the Hofstadter spectrum of this three band system with interband coupling strength is presented and discussed.

A maximally particle-hole asymmetric spectrum emanating from a semi-Dirac point

NASA Astrophysics Data System (ADS)

Quan, Yundi; Pickett, Warren E.

2018-02-01

Tight binding models have proven an effective means of revealing Dirac (massless) dispersion, flat bands (infinite mass), and intermediate cases such as the semi-Dirac (sD) dispersion. This approach is extended to a three band model that yields, with chosen parameters in a two-band limit, a closed line with maximally asymmetric particle-hole dispersion: infinite mass holes, zero mass particles. The model retains the sD points for a general set of parameters. Adjacent to this limiting case, hole Fermi surfaces are tiny and needle-like. A pair of large electron Fermi surfaces at low doping merge and collapse at half filling to a flat (zero energy) closed contour with infinite mass along the contour and enclosing no carriers on either side, while the hole Fermi surface has shrunk to a point at zero energy, also containing no carriers. The tight binding model is used to study several characteristics of the dispersion and density of states. The model inspired generalization of sD dispersion to a general  ± \\sqrt{k_x2n +k_y2m} form, for which analysis reveals that both n and m must be odd to provide a diabolical point with topological character. Evolution of the Hofstadter spectrum of this three band system with interband coupling strength is presented and discussed.

Fermi surface reconstruction and multiple quantum phase transitions in the antiferromagnet CeRhIn5

PubMed Central

Jiao, Lin; Chen, Ye; Kohama, Yoshimitsu; Graf, David; Bauer, E. D.; Singleton, John; Zhu, Jian-Xin; Weng, Zongfa; Pang, Guiming; Shang, Tian; Zhang, Jinglei; Lee, Han-Oh; Park, Tuson; Jaime, Marcelo; Thompson, J. D.; Steglich, Frank; Si, Qimiao; Yuan, H. Q.

2015-01-01

Conventional, thermally driven continuous phase transitions are described by universal critical behavior that is independent of the specific microscopic details of a material. However, many current studies focus on materials that exhibit quantum-driven continuous phase transitions (quantum critical points, or QCPs) at absolute zero temperature. The classification of such QCPs and the question of whether they show universal behavior remain open issues. Here we report measurements of heat capacity and de Haas–van Alphen (dHvA) oscillations at low temperatures across a field-induced antiferromagnetic QCP (Bc0 ≈ 50 T) in the heavy-fermion metal CeRhIn5. A sharp, magnetic-field-induced change in Fermi surface is detected both in the dHvA effect and Hall resistivity at B0* ≈ 30 T, well inside the antiferromagnetic phase. Comparisons with band-structure calculations and properties of isostructural CeCoIn5 suggest that the Fermi-surface change at B0* is associated with a localized-to-itinerant transition of the Ce-4f electrons in CeRhIn5. Taken in conjunction with pressure experiments, our results demonstrate that at least two distinct classes of QCP are observable in CeRhIn5, a significant step toward the derivation of a universal phase diagram for QCPs. PMID:25561536

Electronic structure of a laterally graded ZrO2-TiO2 film on Si(100) prepared by metal-organic chemical vapor deposition in ultrahigh vacuum

NASA Astrophysics Data System (ADS)

Richter, J. H.; Karlsson, P. G.; Sandell, A.

2008-05-01

A TiO2-ZrO2 film with laterally graded stoichiometry has been prepared by metal-organic chemical vapor deposition in ultrahigh vacuum. The film was characterized in situ using synchrotron radiation photoelectron spectroscopy (PES) and x-ray absorption spectroscopy. PES depth profiling clearly shows that Ti ions segregate toward the surface region when mixed with ZrO2. The binding energy of the ZrO2 electronic levels is constant with respect to the local vacuum level. The binding energy of the TiO2 electronic levels is aligned to the Fermi level down to a Ti /Zr ratio of about 0.5. At a Ti /Zr ratio between 0.1 and 0.5, the TiO2 related electronic levels become aligned to the local vacuum level. The addition of small amounts of TiO2 to ZrO2 results in a ZrO2 band alignment relative to the Fermi level that is less asymmetric than for pure ZrO2. The band edge positions shift by -0.6eV for a Ti /Zr ratio of 0.03. This is explained in terms of an increase in the work function when adding TiO2, an effect that becomes emphasized by Ti surface segregation.

Unconventional superconductivity in magic-angle graphene superlattices.

PubMed

Cao, Yuan; Fatemi, Valla; Fang, Shiang; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Jarillo-Herrero, Pablo

2018-04-05

The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity-which cannot be explained by weak electron-phonon interactions-in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°-the first 'magic' angle-the electronic band structure of this 'twisted bilayer graphene' exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature-carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 10 11 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.

Ab initio study of the electron-phonon coupling at the Cr(001) surface

NASA Astrophysics Data System (ADS)

Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

2018-04-01

It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

Chemical Gating of a Weak Topological Insulator: Bi14Rh3I9.

PubMed

Ghimire, Madhav Prasad; Richter, Manuel

2017-10-11

The compound Bi 14 Rh 3 I 9 has recently been suggested as a weak three-dimensional topological insulator on the basis of angle-resolved photoemission and scanning-tunneling experiments in combination with density functional (DF) electronic structure calculations. These methods unanimously support the topological character of the headline compound, but a compelling confirmation could only be obtained by dedicated transport experiments. The latter, however, are biased by an intrinsic n-doping of the material's surface due to its polarity. Electronic reconstruction of the polar surface shifts the topological gap below the Fermi energy, which would also prevent any future device application. Here, we report the results of DF slab calculations for chemically gated and counter-doped surfaces of Bi 14 Rh 3 I 9 . We demonstrate that both methods can be used to compensate the surface polarity without closing the electronic gap.

Electron acceleration in a secondary magnetic island formed during magnetic reconnection with a guide field

NASA Astrophysics Data System (ADS)

Wang, Huanyu; Lu, Quanming; Huang, Can; Wang, Shui

2017-05-01

Secondary magnetic islands may be generated in the vicinity of an X line during magnetic reconnection. In this paper, by performing two-dimensional (2-D) particle-in-cell simulations, we investigate the role of a secondary magnetic island in electron acceleration during magnetic reconnection with a guide field. The electron motions are found to be adiabatic, and we analyze the contributions of the parallel electric field and Fermi and betatron mechanisms to electron acceleration in the secondary island during the evolution of magnetic reconnection. When the secondary island is formed, electrons are accelerated by the parallel electric field due to the existence of the reconnection electric field in the electron current sheet. Electrons can be accelerated by both the parallel electric field and Fermi mechanism when the secondary island begins to merge with the primary magnetic island, which is formed simultaneously with the appearance of X lines. With the increase in the guide field, the contributions of the Fermi mechanism to electron acceleration become less and less important. When the guide field is sufficiently large, the contribution of the Fermi mechanism is almost negligible.

Lifshitz Transitions, Type-II Dirac and Weyl Fermions, Event Horizon and All That

NASA Astrophysics Data System (ADS)

Volovik, G. E.; Zhang, K.

2017-12-01

The type-II Weyl and type-II Dirac points emerge in semimetals and also in relativistic systems. In particular, the type-II Weyl fermions may emerge behind the event horizon of black holes. In this case the horizon with Painlevé-Gullstrand metric serves as the surface of the Lifshitz transition. This relativistic analogy allows us to simulate the black hole horizon and Hawking radiation using the fermionic superfluid with supercritical velocity, and the Dirac and Weyl semimetals with the interface separating the type-I and type-II states. The difference between such type of the artificial event horizon and that which arises in acoustic metric is discussed. At the Lifshitz transition between type-I and type-II fermions the Dirac lines may also emerge, which are supported by the combined action of topology and symmetry. The type-II Weyl and Dirac points also emerge as the intermediate states of the topological Lifshitz transitions. Different configurations of the Fermi surfaces, involved in such Lifshitz transition, are discussed. In one case the type-II Weyl point connects the Fermi pockets and the Lifshitz transition corresponds to the transfer of the Berry flux between the Fermi pockets. In the other case the type-II Weyl point connects the outer and inner Fermi surfaces. At the Lifshitz transition the Weyl point is released from both Fermi surfaces. They loose their Berry flux, which guarantees the global stability, and without the topological support the inner surface disappears after shrinking to a point at the second Lifshitz transition. These examples reveal the complexity and universality of topological Lifshitz transitions, which originate from the ubiquitous interplay of a variety of topological characters of the momentum-space manifolds. For the interacting electrons, the Lifshitz transitions may lead to the formation of the dispersionless (flat) band with zero energy and singular density of states, which opens the route to room-temperature superconductivity. Originally, the idea of the enhancement of T_c due to flat band has been put forward by the nuclear physics community, and this also demonstrates the close connections between different areas of physics.

Fermi surface in the hidden-order state of URu2Si2 under intense pulsed magnetic fields up to 81 T

NASA Astrophysics Data System (ADS)

Scheerer, G. W.; Knafo, W.; Aoki, D.; Nardone, M.; Zitouni, A.; Béard, J.; Billette, J.; Barata, J.; Jaudet, C.; Suleiman, M.; Frings, P.; Drigo, L.; Audouard, A.; Matsuda, T. D.; Pourret, A.; Knebel, G.; Flouquet, J.

2014-04-01

We present measurements of the resistivity ρx ,x of URu2Si2 high-quality single crystals in pulsed high magnetic fields up to 81 T at a temperature of 1.4 K and up to 60 T at temperatures down to 100 mK. For a field H applied along the magnetic easy axis c, a strong sample dependence of the low-temperature resistivity in the hidden-order phase is attributed to a high carrier mobility. The interplay between the magnetic and orbital properties is emphasized by the angle dependence of the phase diagram, where magnetic transition fields and crossover fields related to the Fermi surface properties follow a 1/cosθ law, θ being the angle between H and c. For H ∥c, a crossover defined at a kink of ρx ,x, as initially reported in [Shishido, Phys. Rev. Lett. 102, 156403 (2009), 10.1103/PhysRevLett.102.156403], is found to be strongly sample dependent: its characteristic field μ0H* varies from ≃20 T in our best sample with a residual resistivity ratio RRR = ρx ,x(300K)/ ρx ,x(2K) of 225 to ≃25 T in a sample with a RRR of 90. A second crossover is defined at the maximum of ρx ,x at the sample-independent low-temperature (LT) characteristic field μ0Hρ,maxLT≃30 T. Fourier analyses of Shubnikov-de Haas oscillations show that Hρ,maxLT coincides with a sudden modification of the Fermi surface, while H* lies in a regime where the Fermi surface is smoothly modified. For H ∥a, (i) no phase transition is observed at low temperature and the system remains in the hidden-order phase up to 81 T, (ii) quantum oscillations surviving up to 7 K are related to a new orbit observed at the frequency Fλ≃1350 T and associated with a low effective mass mλ*=(1±0.5)m0, where m0 is the free electron mass, and (iii) no Fermi surface modification occurs up to 81 T.

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

NASA Astrophysics Data System (ADS)

Wang, Yi X.; Wu, Q.; Chen, Xiang R.; Geng, Hua Y.

2016-09-01

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium.

High-density two-dimensional electron system induced by oxygen vacancies in ZnO

NASA Astrophysics Data System (ADS)

Rödel, T. C.; Dai, J.; Fortuna, F.; Frantzeskakis, E.; Le Fèvre, P.; Bertran, F.; Kobayashi, M.; Yukawa, R.; Mitsuhashi, T.; Kitamura, M.; Horiba, K.; Kumigashira, H.; Santander-Syro, A. F.

2018-05-01

We realize a two-dimensional electron system (2DES) in ZnO by simply depositing pure aluminum on its surface in ultrahigh vacuum and characterize its electronic structure by using angle-resolved photoemission spectroscopy. The aluminum oxidizes into alumina by creating oxygen vacancies that dope the bulk conduction band of ZnO and confine the electrons near its surface. The electron density of the 2DES is up to two orders of magnitude higher than those obtained in ZnO heterostructures. The 2DES shows two s -type subbands, that we compare with the d -like 2DESs in titanates, with clear signatures of many-body interactions that we analyze through a self-consistent extraction of the system self-energy and a modeling as a coupling of a two-dimensional Fermi liquid with a Debye distribution of phonons.

High Magnetic Field Properties of Ce2Rh3Ge5

NASA Astrophysics Data System (ADS)

Wartenbe, Mark

2015-03-01

The competition between localized and delocalized f electrons in heavy fermion materials produces a wide variety of interesting physical phenomena. Among these compounds is Ce2Rh3Ge5. This heavy-fermion system undergoes an antiferromagnetic transition below 4K and exhibits an angle dependent magnetic phase transition around 25 tesla. In addition, RF conductivity measurements in pulsed field (65T) have revealed quantum oscillations. Temperature dependence at fixed angle indicates relatively heavy effective masses of values ranging from around 3me on up to 10me. This indicates that the narrow f-electron density of states is partially hybridized close to the Fermi energy, but also places strict cryogenic constraints upon the measurement (3Helium temperatures are required). Fermi surface calculations have produced complex figures which lend validation to such rich behavior. Ryan Baumbach, Andrew Gallagher, Eric Bauer, Ross McDonald, Kuan-Wen Chen,David Graf.

Characterizing the electronic ground states of single-layer NbSe2 via STM/STS

NASA Astrophysics Data System (ADS)

Chen, Yi; Ugeda, Miguel; Bradley, Aaron; Zhang, Yi; Onishi, Seita; Ruan, Wei; Ojeda-Aristizabal, Claudia; Ryu, Hyejin; Edmonds, Mark; Tsai, Hsin-Zon; Riss, Alexander; Mo, Sung-Kwan; Lee, Dunghai; Zettl, Alex; Hussain, Zahid; Shen, Zhi-Xun; Crommie, Michael

Layered transition metal dichalcogenides (TMDs) are ideal systems for exploring collective electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 the CDW sets in at TCDW = 33K and superconductivity sets in at Tc = 7.2K. Below Tc these electronic states coexist but their microscopic formation mechanisms remain controversial. Here we present an electronic characterization study of a single 2D layer of NbSe2 by means of low temperature scanning tunneling microscopy/spectroscopy (STM/STS), angle-resolved photoemission spectroscopy (ARPES), and electrical transport measurements. We demonstrate that the CDW order remains intact in 2D and exhibits a robust 3 x 3 superlattice. Superconductivity also still occurs but its onset is depressed to 1.6K. Our STS measurements at 5K reveal a CDW gap of Δ = 4 meV at the Fermi energy, which is accessible via STS due to the removal of bands crossing the Fermi surface in the 2D limit. Our observations are consistent with the predicted simplified (compared to bulk) electronic structure of single-layer NbSe2, thus providing new insight into CDW formation and superconductivity in this model strongly-correlated system.

Fermi surface and quantum well states of V(110) films on W(110)

NASA Astrophysics Data System (ADS)

Krupin, Oleg; Rotenberg, Eli; Kevan, S. D.

2007-09-01

Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface.

Unifying ultrafast demagnetization and intrinsic Gilbert damping in Co/Ni bilayers with electronic relaxation near the Fermi surface

NASA Astrophysics Data System (ADS)

Zhang, Wei; He, Wei; Zhang, Xiang-Qun; Cheng, Zhao-Hua; Teng, Jiao; Fähnle, Manfred

2017-12-01

The ability to controllably manipulate the laser-induced ultrafast magnetic dynamics is a prerequisite for future high-speed spintronic devices. The optimization of devices requires the controllability of the ultrafast demagnetization time τM and intrinsic Gilbert damping αintr. In previous attempts to establish a relationship between τM and αintr, the rare-earth doping of a permalloy film with two different demagnetization mechanisms was not a suitable candidate. Here, we choose Co/Ni bilayers to investigate the relations between τM and αintr by means of the time-resolved magneto-optical Kerr effect (TR-MOKE) via adjusting the thickness of the Ni layers, and obtain an approximately proportional relation between these two parameters. The remarkable agreement between the TR-MOKE experiment and the prediction of a breathing Fermi-surface model confirms that a large Elliott-Yafet spin-mixing parameter b2 is relevant to the strong spin-orbital coupling at the Co/Ni interface. More importantly, a proportional relation between τM and αintr in such metallic films or heterostructures with electronic relaxation near the Fermi surface suggests the local spin-flip scattering dominates the mechanism of ultrafast demagnetization, otherwise the spin-current mechanism dominates. It is an effective method to distinguish the dominant contributions to ultrafast magnetic quenching in metallic heterostructures by simultaneously investigating both the ultrafast demagnetization time and Gilbert damping. Our work can open an avenue to manipulate the magnitude and efficiency of terahertz emission in metallic heterostructures such as perpendicular magnetic anisotropic Ta/Pt/Co/Ni/Pt/Ta multilayers, and then it has an immediate implication for the design of high-frequency spintronic devices.

Electron storage in single wall carbon nanotubes. Fermi level equilibration in semiconductor-SWCNT suspensions.

PubMed

Kongkanand, Anusorn; Kamat, Prashant V

2007-08-01

The use of single wall carbon nanotubes (SWCNTs) as conduits for transporting electrons in a photoelectrochemical solar cell and electronic devices requires better understanding of their electron-accepting properties. When in contact with photoirradiated TiO(2) nanoparticles, SWCNTs accept and store electrons. The Fermi level equilibration with photoirradiated TiO(2) particles indicates storage of up to 1 electron per 32 carbon atoms in the SWCNT. The stored electrons are readily discharged on demand upon addition of electron acceptors such as thiazine and oxazine dyes (reduction potential less negative than that of the SWCNT conduction band) to the TiO(2)-SWCNT suspension. The stepwise electron transfer from photoirradiated TiO(2) nanoparticles --> SWCNT --> redox couple has enabled us to probe the electron equilibration process and determine the apparent Fermi level of the TiO(2)-SWCNT system. A positive shift in apparent Fermi level (20-30 mV) indicates the ability of SWCNTs to undergo charge equilibration with photoirradiated TiO(2) particles. The dependence of discharge capacity on the reduction potential of the dye redox couple is compared for TiO(2) and TiO(2)-SWCNT systems under equilibration conditions.

Multidimensional photoemission spectroscopy—the space-charge limit

NASA Astrophysics Data System (ADS)

Schönhense, B.; Medjanik, K.; Fedchenko, O.; Chernov, S.; Ellguth, M.; Vasilyev, D.; Oelsner, A.; Viefhaus, J.; Kutnyakhov, D.; Wurth, W.; Elmers, H. J.; Schönhense, G.

2018-03-01

Photoelectron spectroscopy, especially at pulsed sources, is ultimately limited by the Coulomb interaction in the electron cloud, changing energy and angular distribution of the photoelectrons. A detailed understanding of this phenomenon is crucial for future pump-probe photoemission studies at (x-ray) free electron lasers and high-harmonic photon sources. Measurements have been performed for Ir(111) at hν = 1000 eV with photon flux densities between ˜102 and 104 photons per pulse and μm2 (beamline P04/PETRA III, DESY Hamburg), revealing space-charge induced energy shifts of up to 10 eV. In order to correct the essential part of the energy shift and restore the electron distributions close to the Fermi energy, we developed a semi-analytical theory for the space-charge effect in cathode-lens instruments (momentum microscopes, photoemission electron microscopes). The theory predicts a Lorentzian profile of energy isosurfaces and allows us to quantify the charge cloud from measured energy profiles. The correction is essential for the determination of the Fermi surface, as we demonstrate by means of ‘k-space movies’ for the prototypical high-Z material tungsten. In an energy interval of about 1 eV below the Fermi edge, the bandstructure can be restored up to substantial shifts of ˜7 eV. Scattered photoelectrons strongly enhance the inelastic background in the region several eV below E F, proving that the majority of scattering events involves a slow electron. The correction yields a gain of two orders of magnitude in usable intensity compared with the uncorrected case (assuming a tolerable shift of 250 meV). The results are particularly important for future experiments at SASE-type free electron lasers, since the correction also works for strongly fluctuating (but known) pulse intensities.

Momentum microscopy of ? single crystals with detailed surface characterisation

NASA Astrophysics Data System (ADS)

Ellguth, M.; Tusche, C.; Iga, F.; Suga, S.

2016-11-01

We report the in situ preparation of surfaces of the proposed topological Kondo insulator SmB? by controlled cycles of Ar ion sputtering and annealing. The procedure provides a reproducible way for the preparation of Sm- or B-rich surface terminations by low (?1080 ?C) or high (?1200 ?C) temperature annealing. The surface quality and termination were checked by low energy electron diffraction and Auger electron spectroscopy. Photoemission studies were carried out using momentum microscopy and two laboratory light sources providing polarised radiation with an energy of 6 eV (fourth harmonic of a pulsed Ti:Sapphire laser) and unpolarised radiation with an energy of 21.2 eV (He-I line of a gas discharge lamp). Full dispersions of electronic states in a wide two-dimensional momentum space were obtained by momentum microscopy from the in situ prepared Sm-terminated surface. The shape of the Fermi surface is discussed based on the sections through the bulk Brillouin zone sampled by the different photon energies.

First Results on the High Energy Cosmic Ray Electron Spectrum from Fermi Lat

NASA Technical Reports Server (NTRS)

Moiseev, Alexander

2009-01-01

This viewgraph presentation addresses energy reconstruction, electron-hadron separation, validation of Monte Carlo with flight data and an assessment of systematic errors from the Fermi Large Area Telescope.

Electron-exchange and quantum screening effects on the Thomson scattering process in quantum Fermi plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Gyeong Won; Jung, Young-Dae; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York 12180-3590

2013-06-15

The influence of the electron-exchange and quantum screening on the Thomson scattering process is investigated in degenerate quantum Fermi plasmas. The Thomson scattering cross section in quantum plasmas is obtained by the plasma dielectric function and fluctuation-dissipation theorem as a function of the electron-exchange parameter, Fermi energy, plasmon energy, and wave number. It is shown that the electron-exchange effect enhances the Thomson scattering cross section in quantum plasmas. It is also shown that the differential Thomson scattering cross section has a minimum at the scattering angle Θ=π/2. It is also found that the Thomson scattering cross section increases with anmore » increase of the Fermi energy. In addition, the Thomson scattering cross section is found to be decreased with increasing plasmon energy.« less

Bulk contribution to magnetotransport properties of low-defect-density Bi2Te3 topological insulator thin films

NASA Astrophysics Data System (ADS)

Ngabonziza, P.; Wang, Y.; Brinkman, A.

2018-04-01

An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi2Te3 topological insulator samples, bulk single crystals and thin films exposed to air during fabrication processes are known to be bulk conducting, with the chemical potential in the bulk conduction band. For Bi2Te3 thin films grown by molecular beam epitaxy, we combine structural characterization (transmission electron microscopy), chemical surface analysis as function of time (x-ray photoelectron spectroscopy) and magnetotransport analysis to understand the low defect density and record high bulk electron mobility once charge is doped into the bulk by surface degradation. Carrier densities and electronic mobilities extracted from the Hall effect and the quantum oscillations are consistent and reveal a large bulk carrier mobility. Because of the cylindrical shape of the bulk Fermi surface, the angle dependence of the bulk magnetoresistance oscillations is two dimensional in nature.

Surface-state depopulation on small Ag(111) terraces.

PubMed

Morgenstern, Karina; Braun, Kai-Felix; Rieder, Karl-Heinz

2002-11-25

The dependence of the local density of states near the Fermi energy E(F) on the width of terraces T is investigated by tunneling scanning spectroscopy on Ag(111) at 7 K. With decreasing T, the electronic density in the occupied surface state shifts monotonically towards E(F), leading to a depopulation at T=3.2 nm in quantitative agreement with a Fabry-Pérot model. Depopulation coincides with a switch from confinement by terrace modulation to step modulation.

Fermi LAT Results and Perspectives in Measurements of High Energy Galactic Cosmic Rays

NASA Technical Reports Server (NTRS)

Moiseev, Alexander

2010-01-01

Real breakthrough during last 1-1.5 years in cosmic ray electrons: ATIC, HESS, Pamela, and finally Fermi-LAT. New quality data have made it possible to start quantitative modeling. With the new data more puzzles than before on CR electrons origin. Need "multi-messenger" campaign: electrons, positrons, gammas, X-ray, radio, neutrino... It is viable that we are dealing with at least two distinct mechanisms of "primary" electron (both signs) production: a softer spectrum of negative electrons, and a harder spectrum of both e(+)+e(-). Exotic (e.g. DM) origin is not ruled out. Upper limits on CR electrons anisotropy are set. Good perspectives to have the Fermi LAT results on proton spectrum and positron fraction.

Many-body instabilities and mass generation in slow Dirac materials

NASA Astrophysics Data System (ADS)

Triola, Christopher; Zhu, Jian-Xin; Migliori, Albert; Balatsky, Alexander V.

2015-07-01

Some Kondo insulators are expected to possess topologically protected surface states with linear Dirac spectrum: the topological Kondo insulators. Because the bulk states of these systems typically have heavy effective electron masses, the surface states may exhibit extraordinarily small Fermi velocities that could force the effective fine structure constant of the surface states into the strong coupling regime. Using a tight-binding model, we study the many-body instabilities of these systems and identify regions of parameter space in which the system exhibits spin density wave and charge density wave order.

A first principles investigation of electron transfer between Fe(II) and U(VI) on insulating Al- vs. semiconducting Fe-oxide surfaces via the proximity effect

NASA Astrophysics Data System (ADS)

Taylor, S. D.; Marcano, M. C.; Becker, U.

2017-01-01

This study investigates how the intrinsic chemical and electronic properties of mineral surfaces and their associated electron transfer (ET) pathways influence the reduction of U(VI) by surface-associated Fe(II). Density functional theory (DFT), including the Hubbard U correction to the exchange-correlation functional, was used to investigate sorption/redox reactions and ET mechanisms between Fe(II) and U(VI) coadsorbed on isostructural, periodic (0 0 1) surfaces of the insulator corundum (α-Al2O3) vs. the semiconductor hematite (α-Fe2O3). Furthermore, the coadsorbed Fe(II) and U(VI) ions are spatially separated from one another on the surfaces (⩾5.9 Å) to observe whether electronic-coupling through the semiconducting hematite surface facilitates ET between the adsorbates, a phenomenon known as the proximity effect. The calculations show that the different chemical and electronic properties between the isostructural corundum and hematite (0 0 1) surfaces lead to considerably different ET mechanisms between Fe(II) and U(VI). ET on the insulating corundum (0 0 1) surface is limited by the adsorbates' structural configuration. When Fe(II) and U(VI) are spatially separated and do not directly interact with one another (e.g. via an inner-sphere complex), U(VI) reduction by Fe(II) cannot occur as there is no physical pathway enabling ET between the adsorbates. In contrast to the insulating corundum (0 0 1) surface, the hematite (0 0 1) surface can potentially participate in ET reactions due to the high number of electron acceptor sites from the Fe d-states near the Fermi level at the hematite surface. The adsorption of Fe(II) also introduces d-states near the Fermi level as well as shifts unoccupied d-states of the Fe cations at the hematite surface to lower energies, making the surface more conductive. In turn, electronic coupling through the surface can link the spatially separated adsorbates to one another and provide distinct ET pathways for an electron from Fe(II) to travel through the hematite surface and reach U(VI). The progression and extent of ET occurring on the semiconducting hematite (0 0 1) surface via the proximity effect depends on the electronic properties of the surface. ET between the spatially separated U(VI) and Fe(II) occurs most readily when orbitals between the Fe and U adsorbates overlap with those of neighboring O and Fe ions at the hematite surface, as shown by calculations without the Hubbard U correction. Analyses of the spins densities confirm that the U and Fe adsorbates were reduced and oxidized, respectively, (acquiring 0.33 μB and 0.11-0.20 μB, respectively), while Fe cations at the hematite surface were reduced (losing ⩽0.6 μB). If electrons are highly localized, the amount of orbital mixing and electronic coupling through the hematite surface decreases and in turn leads to a lower degree of spin transfer, as predicted by calculations with the Hubbard U correction. Thus, the proximity effect is a potential mechanism on semiconducting surfaces facilitating surface-mediated redox reactions, although its significance varies depending on the electronic properties and subsequent charge-carrying ability of the surface. These results provide insight into ET pathways and mechanisms on insulating Al- and semiconducting Fe oxide surfaces influencing the reduction U(VI) by Fe(II) that may subsequently limit uranium's transport in the subsurface.

Correlation between the Knight shift of chemisorbed CO and the Fermi level local density of states at clean platinum catalyst surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tong, Y.Y.; Rice, C.; Godbout, N.

1999-04-07

Due to its fundamental importance in heterogeneous catalysis, as well as in electrocatalysis, the chemisorption and reaction of CO on transition metal surfaces has been an important focus of modern surface science. Here, the NMR spectroscopy of {sup 13}CO adsorbed onto transition metal surfaces has been shown to be a very powerful probe of molecular structure and dynamics of CO itself, as well as a probe of the electronic properties of the transition metal surfaces onto which it is adsorbed. The authors have investigated the {sup 195}Pt and {sup 13}C nuclear magnetic resonance (NMR) spectroscopy of clean-surface platinum catalysts andmore » of CO chemisorbed onto Pt catalysts surfaces. They use Knight shift, relaxation, and J-coupling data to deduce information about the Fermi level local density of states (E{sub f}-LDOS) at catalyst surfaces. There is a linear correlation between the Knight shifts of chemisorbed CO and the clean surface E{sub f}-LDOS of platinum onto which the CO is bound, as determined by {sup 13}C and {sup 195}Pt NMR. The correlation amounts to {approximately} 12 ppm/Ry{sup {minus}1} {center_dot} atom{sup {minus}1}, the same as that which can be deduced for CO on palladium, as well as from the electrode potential dependence of {sup 13}C Knight shifts and infrared vibrational frequencies, {nu}{sub CO}, and the relationship between {nu}{sub CO} and the E{sub f}-LDOS at clean platinum surfaces. The ability to now directly relate meal and adsorbate electronic properties opens up new avenues for investigating metal-ligand interactions in heterogeneous catalysis and electrocatalysis.« less

Orbital Selective Spin Excitations and their Impact on Superconductivity of LiFe 1 - x Co x As

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yu; Yin, Zhiping; Wang, Xiancheng

We use neutron scattering to study spin excitations in single crystals of LiFe 0.88Co 0.12As, which is located near the boundary of the superconducting phase of LiFe 1-xCo xAs and exhibits non- Fermi-liquid behavior indicative of a quantum critical point. By comparing spin excitations of LiFe 0.88Co 0.12As with a combined density functional theory (DFT) and dynamical mean field theory (DMFT) calculation, we conclude that wave-vector correlated low energy spin excitations are mostly from the dxy orbitals, while high-energy spin excitations arise from the dyz and dxz orbitals. Unlike most iron pnictides, the strong orbital selective spin excitations in LiFeAsmore » family cannot be described by anisotropic Heisenberg Hamiltonian. While the evolution of low-energy spin excitations of LiFe 1-xCo xAs are consistent with electron-hole Fermi surface nesting condition for the dxy orbital, the reduced superconductivity in LiFe 0.88Co 0.12As suggests that Fermi surface nesting conditions for the dyz and dxz orbitals are also important for superconductivity in iron pnictides.« less

Orbital Selective Spin Excitations and their Impact on Superconductivity of LiFe 1 - x Co x As

DOE PAGES

Li, Yu; Yin, Zhiping; Wang, Xiancheng; ...

2016-06-17

We use neutron scattering to study spin excitations in single crystals of LiFe 0.88Co 0.12As, which is located near the boundary of the superconducting phase of LiFe 1-xCo xAs and exhibits non- Fermi-liquid behavior indicative of a quantum critical point. By comparing spin excitations of LiFe 0.88Co 0.12As with a combined density functional theory (DFT) and dynamical mean field theory (DMFT) calculation, we conclude that wave-vector correlated low energy spin excitations are mostly from the dxy orbitals, while high-energy spin excitations arise from the dyz and dxz orbitals. Unlike most iron pnictides, the strong orbital selective spin excitations in LiFeAsmore » family cannot be described by anisotropic Heisenberg Hamiltonian. While the evolution of low-energy spin excitations of LiFe 1-xCo xAs are consistent with electron-hole Fermi surface nesting condition for the dxy orbital, the reduced superconductivity in LiFe 0.88Co 0.12As suggests that Fermi surface nesting conditions for the dyz and dxz orbitals are also important for superconductivity in iron pnictides.« less

A layered Dirac system candidate: Fermi surface and anomalous Berry phase in ZrSiSe

NASA Astrophysics Data System (ADS)

Chiu, Yu-Che; Chen, Kuan-Wen; Graf, David; Zhou, Qiong; Martin, Thomas J.; Chan, Julia Y.; Johannes, Michelle; Baumbach, Ryan E.; Balicas, Luis

ZrSiSe was recently claimed to correspond to a novel type of nodal Dirac system. We synthesized single crystals through a combination of solid state reaction and chemical vapor transport. The as-grown single crystals display residual resistivities on the order of 100 nOhmcm at 2K yielding a resistivity ratio surpassing 200. Magnetoresistance (MR) measurements reveal a non-saturating increase in the resistivity by a factor of 500000% under fields up to 35 Tesla. De Haas van Alphen measurements under high magneticfields reveal a Fermi surface that is more complex than previously reported, although its geometry generally agrees with band structure calculations that indicate Dirac-like dispersion in the bulk around the Fermi energy. The charge carrier effective masses extracted from Lifshitz-Kosevich (LK) fits to the amplitude of quantum oscillations were found to range between 0.08me to 0.5me where me is the free electron mass. Fittings of the oscillatory signal to the LK formalism further reveal the existence of cyclotron orbits displaying non-trivial Berry phases approaching pi, which is consistent with the expectations from band structure calculations. funded by DOE, NSF, NHMFL.

Orbital Selective Spin Excitations and their Impact on Superconductivity of LiFe_{1-x}Co_{x}As.

PubMed

Li, Yu; Yin, Zhiping; Wang, Xiancheng; Tam, David W; Abernathy, D L; Podlesnyak, A; Zhang, Chenglin; Wang, Meng; Xing, Lingyi; Jin, Changqing; Haule, Kristjan; Kotliar, Gabriel; Maier, Thomas A; Dai, Pengcheng

2016-06-17

We use neutron scattering to study spin excitations in single crystals of LiFe_{0.88}Co_{0.12}As, which is located near the boundary of the superconducting phase of LiFe_{1-x}Co_{x}As and exhibits non-Fermi-liquid behavior indicative of a quantum critical point. By comparing spin excitations of LiFe_{0.88}Co_{0.12}As with a combined density functional theory and dynamical mean field theory calculation, we conclude that wave-vector correlated low energy spin excitations are mostly from the d_{xy} orbitals, while high-energy spin excitations arise from the d_{yz} and d_{xz} orbitals. Unlike most iron pnictides, the strong orbital selective spin excitations in the LiFeAs family cannot be described by an anisotropic Heisenberg Hamiltonian. While the evolution of low-energy spin excitations of LiFe_{1-x}Co_{x}As is consistent with the electron-hole Fermi surface nesting conditions for the d_{xy} orbital, the reduced superconductivity in LiFe_{0.88}Co_{0.12}As suggests that Fermi surface nesting conditions for the d_{yz} and d_{xz} orbitals are also important for superconductivity in iron pnictides.

Time-dependent Models for Blazar Emission with the Second-order Fermi Acceleration

NASA Astrophysics Data System (ADS)

Asano, Katsuaki; Takahara, Fumio; Kusunose, Masaaki; Toma, Kenji; Kakuwa, Jun

2014-01-01

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations. The hard electron spectrum predicted by the Fermi-II process agrees with the hard photon spectrum of 1ES 1101-232. For other blazars that show softer spectra, the Fermi-II model requires radial evolution of the electron injection rate and/or diffusion coefficient in the outflow. Such evolutions can yield a curved electron spectrum, which can reproduce the synchrotron spectrum of Mrk 421 from the radio to the X-ray regime. The photon spectrum in the GeV energy range of Mrk 421 is hard to fit with a synchrotron self-Compton model. However, if we introduce an external radio photon field with a luminosity of 4.9 × 1038 erg s-1, GeV photons are successfully produced via inverse Compton scattering. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.

Multiple Types of Topological Fermions in Transition Metal Silicides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Peizhe; Zhou, Quan; Zhang, Shou -Cheng

Exotic massless fermionic excitations with nonzero Berry flux, other than the Dirac and Weyl fermions, could exist in condensed matter systems under the protection of crystalline symmetries, such as spin-1 excitations with threefold degeneracy and spin-3/2 Rarita-Schwinger-Weyl fermions. Herein, by using the ab initio density functional theory, we show that these unconventional quasiparticles coexist with type-I and type-II Weyl fermions in a family of transition metal silicides, including CoSi, RhSi, RhGe, and CoGe, when spin-orbit coupling is considered. Their nontrivial topology results in a series of extensive Fermi arcs connecting projections of these bulk excitations on the side surface, whichmore » is confirmed by (001) surface electronic spectra of CoSi. Additionally, these stable arc states exist within a wide energy window around the Fermi level, which makes them readily accessible in angle-resolved photoemission spectroscopy measurements.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, J.; Liu, Z. K.; Sun, Y.

Topological Weyl semimetal (TWS), a new state of quantum matter, has sparked enormous research interest recently. Possessing unique Weyl fermions in the bulk and Fermi arcs on the surface, TWSs offer a rare platform for realizing many exotic physical phenomena. TWSs can be classified into type-I that respect Lorentz symmetry and type-II that do not. Here, we directly visualize the electronic structure of MoTe 2, a recently proposed type-II TWS. Using angle-resolved photoemission spectroscopy (ARPES), we unravel the unique surface Fermi arcs, in good agreement with our ab initio calculations that have nontrivial topological nature. Our work not only leadsmore » to new understandings of the unusual properties discovered in this family of compounds, but also allows for the further exploration of exotic properties and practical applications of type-II TWSs, as well as the interplay between superconductivity (MoTe 2 was discovered to be superconducting recently) and their topological order.« less

Stripe Antiferromagnetic Spin Fluctuations in SrCo 2As 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jayasekara, Wageesha; Lee, Young-Jin; Pandey, Abhishek

Inelastic neutron scattering measurements of paramagnetic SrCo 2As 2 at T = 5 K reveal antiferromagnetic (AFM) spin fluctuations that are peaked at a wave vector of Q AFM = (1/2, 1/2, 1) and possess a large energy scale. These stripe spin fluctuations are similar to those found in AFe 2As 2 compounds, where spin-density wave AFM is driven by Fermi surface nesting between electron and hole pockets separated by Q AFM. SrCo 2As 2 has a more complex Fermi surface and band-structure calculations indicate a potential instability toward either a ferromagnetic or stripe AFM ground state. The results suggestmore » that stripe AFM magnetism is a general feature of both iron and cobalt-based arsenides and the search for spin fluctuation-induced unconventional superconductivity should be expanded to include cobalt-based compounds.« less

Multiple Types of Topological Fermions in Transition Metal Silicides

DOE PAGES

Tang, Peizhe; Zhou, Quan; Zhang, Shou -Cheng

2017-11-17

Exotic massless fermionic excitations with nonzero Berry flux, other than the Dirac and Weyl fermions, could exist in condensed matter systems under the protection of crystalline symmetries, such as spin-1 excitations with threefold degeneracy and spin-3/2 Rarita-Schwinger-Weyl fermions. Herein, by using the ab initio density functional theory, we show that these unconventional quasiparticles coexist with type-I and type-II Weyl fermions in a family of transition metal silicides, including CoSi, RhSi, RhGe, and CoGe, when spin-orbit coupling is considered. Their nontrivial topology results in a series of extensive Fermi arcs connecting projections of these bulk excitations on the side surface, whichmore » is confirmed by (001) surface electronic spectra of CoSi. Additionally, these stable arc states exist within a wide energy window around the Fermi level, which makes them readily accessible in angle-resolved photoemission spectroscopy measurements.« less

Pressure dependence of critical temperature of bulk FeSe from spin fluctuation theory

NASA Astrophysics Data System (ADS)

Hirschfeld, Peter; Kreisel, Andreas; Wang, Yan; Tomic, Milan; Jeschke, Harald; Jacko, Anthony; Valenti, Roser; Maier, Thomas; Scalapino, Douglas

2013-03-01

The critical temperature of the 8K superconductor FeSe is extremely sensitive to pressure, rising to a maximum of 40K at about 10GPa. We test the ability of the current generation of fluctuation exchange pairing theories to account for this effect, by downfolding the density functional theory electronic structure for each pressure to a tight binding model. The Fermi surface found in such a procedure is then used with fixed Hubbard parameters to determine the pairing strength using the random phase approximation for the spin singlet pairing vertex. We find that the evolution of the Fermi surface captured by such an approach is alone not sufficient to explain the observed pressure dependence, and discuss alternative approaches. PJH, YW, AK were supported by DOE DE-FG02-05ER46236, the financial support of MT, HJ, and RV from the DFG Schwerpunktprogramm 1458 is kindly acknowledged.

Signature of Type-II Weyl Semimetal Phase in MoTe2

NASA Astrophysics Data System (ADS)

Jiang, Juan; Liu, Zhongkai; Yang, Haifeng; Yang, Lexian; Chen, Cheng; Peng, Han; Hwang, Chan-Cuk; Mo, Sung-Kwan; Chen, Yulin; ShanghaiTech University Collaboration; Oxford University Collaboration; Lawrence Berkeley National Lab Collaboration; Pohang University of Science; Technology Collaboration

Topological Weyl semimetal (TWS) is a new state of quantum matter, which has sparked enormous research interest recently. Possessing unique Weyl fermions in the bulk and Fermi arcs on the surface, TWSs offer a rare platform for realizing many exotic physical phenomena. Here, by using angle-resolved photoemission spectroscopy, we directly visualize the electronic structure of MoTe2, a recently proposed type-II TWS, which do not respect Lorentz symmetry compared with type-I TWS. Furthermore, we unravel the unique surface Fermi arcs, in good agreement with our ab-initio calculations, which have non-trivial topological nature. Our work not only leads to new understandings of the unusual properties discovered in this family of compounds, but also allows for the further exploration of exotic properties and practical applications of type-II TWSs, as well as the interplay between superconductivity and their topological order.

Signature of type-II Weyl semimetal phase in MoTe2

NASA Astrophysics Data System (ADS)

Jiang, J.; Liu, Z. K.; Sun, Y.; Yang, H. F.; Rajamathi, C. R.; Qi, Y. P.; Yang, L. X.; Chen, C.; Peng, H.; Hwang, C.-C.; Sun, S. Z.; Mo, S.-K.; Vobornik, I.; Fujii, J.; Parkin, S. S. P.; Felser, C.; Yan, B. H.; Chen, Y. L.

2017-01-01

Topological Weyl semimetal (TWS), a new state of quantum matter, has sparked enormous research interest recently. Possessing unique Weyl fermions in the bulk and Fermi arcs on the surface, TWSs offer a rare platform for realizing many exotic physical phenomena. TWSs can be classified into type-I that respect Lorentz symmetry and type-II that do not. Here, we directly visualize the electronic structure of MoTe2, a recently proposed type-II TWS. Using angle-resolved photoemission spectroscopy (ARPES), we unravel the unique surface Fermi arcs, in good agreement with our ab initio calculations that have nontrivial topological nature. Our work not only leads to new understandings of the unusual properties discovered in this family of compounds, but also allows for the further exploration of exotic properties and practical applications of type-II TWSs, as well as the interplay between superconductivity (MoTe2 was discovered to be superconducting recently) and their topological order.

Effective field theories for superconducting systems with multiple Fermi surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Braga, P.R., E-mail: pedro.rangel.braga@gmail.com; Granado, D.R., E-mail: diegorochagrana@uerj.br; Department of Physics and Astronomy, Ghent University, Krijgslaan 281-S9, 9000 Gent

2016-11-15

In this work we investigate the description of superconducting systems with multiple Fermi surfaces. For the case of one Fermi surface we re-obtain the result that the superconductor is more precisely described as a topological state of matter. Studying the case of more than one Fermi surface, we obtain the effective theory describing a time reversal symmetric topological superconductor. These results are obtained by employing a general procedure to construct effective low energy actions describing states of electromagnetic systems interacting with charges and defects. The procedure consists in taking into account the proliferation or dilution of these charges and defectsmore » and its consequences for the low energy description of the electromagnetic response of the system. We find that the main ingredient entering the low energy characterization of the system with more than one Fermi surface is a non-conservation of the canonical supercurrent triggered by particular vortex configurations.« less

Topological semimetals carrying arbitrary Hopf numbers: Fermi surface topologies of a Hopf link, Solomon's knot, trefoil knot, and other linked nodal varieties

NASA Astrophysics Data System (ADS)

Ezawa, Motohiko

2017-07-01

We propose a type of Hopf semimetal indexed by a pair of numbers (p ,q ) , where the Hopf number is given by p q . The Fermi surface is given by a preimage of the Hopf map, which consists of loops nontrivially linked for a nonzero Hopf number. The Fermi surface forms a torus link, whose examples are a Hopf link indexed by (1 ,1 ) , Solomon's knot (2 ,1 ) , a double Hopf link (2 ,2 ) , and a double trefoil knot (3 ,2 ) . We may choose p or q to be a half integer, where the Fermi surface is a torus knot, such as a trefoil knot (3 /2 ,1 ) . It is even possible to make the Hopf number an arbitrary rational number, where a semimetal whose Fermi surface forms open strings is generated.

Broken rotational symmetry on the Fermi surface of a high-Tc superconductor

DOE PAGES

Ramshaw, B. J.; Harrison, N.; Sebastian, S. E.; ...

2017-02-13

Broken fourfold rotational (C 4) symmetry is observed in the experimental properties of several classes of unconventional superconductors. It has been proposed that this symmetry breaking is important for superconducting pairing in these materials, but in the high-T c cuprates this broken symmetry has never been observed on the Fermi surface. Here we report a pronounced anisotropy in the angle dependence of the interlayer magnetoresistance of the underdoped high transition temperature (high-T c) superconductor YBa 2Cu 3O 6.58, directly revealing broken C 4 symmetry on the Fermi surface. Moreover, we demonstrate that this Fermi surface has C 2 symmetry ofmore » the type produced by a uniaxial or anisotropic density-wave phase. This establishes the central role of C 4 symmetry breaking in the Fermi surface reconstruction of YBa 2Cu 3O 6+δ , and suggests a striking degree of universality among unconventional superconductors.« less

Response of the Shockley surface state on Cu(111) to an external electrical field: A density-functional theory study

NASA Astrophysics Data System (ADS)

Berland, Kristian; Hyldgaard, Per; Einstein, T. L.

2011-03-01

We study the response of the Cu(111) Shockley surface state to an external electrical field E by combining a density-functional theory calculation for a finite slab geometry with an analysis of the Kohn-Sham wavefunctions to obtain a well-converged characterization. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We find that the shift in band minimum and effective mass depend linearly on E. Most change in electrostatic potential profile, and charge transfer occurs outside the outermost copper atoms, and most of the screening is due to bulk electrons. Our analysis is facilitated by a method used to decouple the Kohn-Sham states due to the finite slab geometry, using a rotation in Hilbert space. We discuss applications to tuning the Fermi wavelength and so the many patterns attributed to metallic surface states. Supported by (KB and PH) Swedish Vetenskapsrådet VR 621-2008-4346 and (TLE) NSF CHE 07-50334 & UMD MRSEC DMR 05-20471.

The 3-Dimensional Fermi Liquid Description for the Iron-Based Superconductors

NASA Astrophysics Data System (ADS)

Misawa, Setsuo

2018-01-01

The quasiparticles in the normal state of iron-based superconductors have been shown to behave universally as a 3-dimensional Fermi liquid. Because of interactions and the presence of sharp Fermi surfaces, the quasiparticle energy contains, as a function of the momentum \\varvec{p}, a term of the form ( p - p_0)^3 ln {( |p-p_0|/p_0)} , where p = | \\varvec{p} | and p_0 is the Fermi momentum. The electronic specific heat coefficient, magnetic susceptibility (Knight shift), electrical resistivity, Hall coefficient and thermoelectric power divided by temperature follow, as functions of temperature T, the logarithmic formula a-b T^2 ln {(T/T^*)}, a, b and T^* being constant; these formulae have been shown to explain the observed data for all iron-based superconductors. It is shown that the concept of non-Fermi liquids or anomalous metals which appears in the literature is not needed for descriptions of the present systems. When the superconducting transition temperature TC and the b / a value for the resistivity are plotted as functions of the doping content x, there appear various characteristic diagrams in which regions of positive correlation and those of negative correlation between TC and b / a are interconnected; from these diagrams, we may make speculations about the types of superconductivity and the crossover between them.

THE MECHANISMS OF ELECTRON ACCELERATION DURING MULTIPLE X LINE MAGNETIC RECONNECTION WITH A GUIDE FIELD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Huanyu; Lu, Quanming; Huang, Can

2016-04-20

The interactions between magnetic islands are considered to play an important role in electron acceleration during magnetic reconnection. In this paper, two-dimensional particle-in-cell simulations are performed to study electron acceleration during multiple X line reconnection with a guide field. Because the electrons remain almost magnetized, we can analyze the contributions of the parallel electric field, Fermi, and betatron mechanisms to electron acceleration during the evolution of magnetic reconnection through comparison with a guide-center theory. The results show that with the magnetic reconnection proceeding, two magnetic islands are formed in the simulation domain. Next, the electrons are accelerated by both themore » parallel electric field in the vicinity of the X lines and the Fermi mechanism due to the contraction of the two magnetic islands. Then, the two magnetic islands begin to merge into one, and, in such a process, the electrons can be accelerated by both the parallel electric field and betatron mechanisms. During the betatron acceleration, the electrons are locally accelerated in the regions where the magnetic field is piled up by the high-speed flow from the X line. At last, when the coalescence of the two islands into one big island finishes, the electrons can be further accelerated by the Fermi mechanism because of the contraction of the big island. With the increase of the guide field, the contributions of the Fermi and betatron mechanisms to electron acceleration become less and less important. When the guide field is sufficiently large, the contributions of the Fermi and betatron mechanisms are almost negligible.« less

Surface effects in the unitary Fermi gas

NASA Astrophysics Data System (ADS)

Salasnich, L.; Ancilotto, F.; Toigo, F.

2010-01-01

We study the extended Thomas-Fermi (ETF) density functional of the superfluid unitary Fermi gas. This functional includes a gradient term which is essential to describe accurately the surface effects of the system, in particular with a small number of atoms, where the Thomas-Fermi (local density) approximation fails. We find that our ETF functional gives density profiles which are in good agreement with recent Monte Carlo results and also with a more sophisticated superfluid density functional based on Bogoliubov-de Gennes equations. In addition, by using extended hydrodynamics equations of superfluids, we calculate the frequencies of collective surface oscillations of the unitary Fermi gas, showing that quadrupole and octupole modes strongly depend on the number of trapped atoms.

Quantum chaos on a critical Fermi surface.

PubMed

Patel, Aavishkar A; Sachdev, Subir

2017-02-21

We compute parameters characterizing many-body quantum chaos for a critical Fermi surface without quasiparticle excitations. We examine a theory of [Formula: see text] species of fermions at nonzero density coupled to a [Formula: see text] gauge field in two spatial dimensions and determine the Lyapunov rate and the butterfly velocity in an extended random-phase approximation. The thermal diffusivity is found to be universally related to these chaos parameters; i.e., the relationship is independent of [Formula: see text], the gauge-coupling constant, the Fermi velocity, the Fermi surface curvature, and high-energy details.

Tight-binding modeling and low-energy behavior of the semi-Dirac point.

PubMed

Banerjee, S; Singh, R R P; Pardo, V; Pickett, W E

2009-07-03

We develop a tight-binding model description of semi-Dirac electronic spectra, with highly anisotropic dispersion around point Fermi surfaces, recently discovered in electronic structure calculations of VO2-TiO2 nanoheterostructures. We contrast their spectral properties with the well-known Dirac points on the honeycomb lattice relevant to graphene layers and the spectra of bands touching each other in zero-gap semiconductors. We also consider the lowest order dispersion around one of the semi-Dirac points and calculate the resulting electronic energy levels in an external magnetic field. In spite of apparently similar electronic structures, Dirac and semi-Dirac systems support diverse low-energy physics.

Applications of Fermi-Lowdin-Orbital Self-Interaction Correction Scheme to Organic Systems

NASA Astrophysics Data System (ADS)

Baruah, Tunna; Kao, Der-You; Yamamoto, Yoh

Recent progress in treating the self-interaction errors by means of local, Lowdin-orthogonalized Fermi Orbitals offers a promising route to study the effect of self-interaction errors in the electronic structure of molecules. The Fermi orbitals depend on the location of the electronic positions, called as Fermi orbital descriptors. One advantage of using the Fermi orbitals is that the corrected Hamiltonian is unitarily invariant. Minimization of the corrected energies leads to an optimized set of centroid positions. Here we discuss the applications of this method to various systems from constituent atoms to several medium size molecules such as Mg-porphyrin, C60, pentacene etc. The applications to the ionic systems will also be discussed. De-SC0002168, NSF-DMR 125302.

Optical Response of Sr2RuO4 Reveals Universal Fermi-Liquid Scaling and Quasiparticles Beyond Landau Theory

NASA Astrophysics Data System (ADS)

Stricker, D.; Mravlje, J.; Berthod, C.; Fittipaldi, R.; Vecchione, A.; Georges, A.; van der Marel, D.

2014-08-01

We report optical measurements demonstrating that the low-energy relaxation rate (1/τ) of the conduction electrons in Sr2RuO4 obeys scaling relations for its frequency (ω) and temperature (T) dependence in accordance with Fermi-liquid theory. In the thermal relaxation regime, 1/τ∝(ℏω)2+(pπkBT)2 with p=2, and ω/T scaling applies. Many-body electronic structure calculations using dynamical mean-field theory confirm the low-energy Fermi-liquid scaling and provide quantitative understanding of the deviations from Fermi-liquid behavior at higher energy and temperature. The excess optical spectral weight in this regime provides evidence for strongly dispersing "resilient" quasiparticle excitations above the Fermi energy.

Debye sheath mechanism at laser plasma interaction and generalization to nuclear forces and quark-gluon plasma

NASA Astrophysics Data System (ADS)

Osman, Frederick; Ghahramani, Nader; Hora, Heinrich

2005-10-01

The studies of laser ablation have lead to a new theory of nuclei, endothermic nuclei generation, and quark-gluon plasmas. The surface of ablated plasma expanding into vacuum after high power laser irradiation of targets contains an electric double layer having the thickness of the Debye length. This led to the discovery of surface tension in plasmas, and led to the internal dynamic electric fields in all inhomogeneous plasmas. The surface tension causes stabilization by short length surface wave smoothing the expanding plasma plume and to stabilization against the Rayleigh Taylor instability. Generalizing this to the degenerate electrons in a metal with the Fermi energy instead of the temperature resulted in the first quantum theory of surface tension of metals in agreement with measurements. Taking the Fermi energy in the Debye length for nucleons results in a theory of nuclei with stable confinement of protons and neutrons just at the well-known nuclear density, and the Debye lengths equal to the Hofstadter decay of the nuclear surface. Increasing the nuclear density by a factor of 10 leads to a change of the Fermi energy into its relativistic branch where no surface energy is possible and the particle mass is not defined, permitting the quark gluon plasma. Expansion of this higher density at the big bang or in super-nova results in nucleation and element generation. The Boltzmann equilibrium permits the synthesis of nuclei even in the endothermic range, however with the limit to about uranium. A relation for the magic numbers leads to a quark structure of nuclear shells that can be understood as a duality property of nuclei with respect to nucleons and quarks

Fluctuation-exchange study of antiferromagnetism in disordered electron-doped cuprate superconductors.

PubMed

Yan, Xin-Zhong; Ting, C S

2006-08-11

On the basis of the Hubbard model, we extend the fluctuation-exchange (FLEX) approach to investigating the properties of the antiferromagnetic (AF) phase in electron-doped cuprate superconductors. Furthermore, by incorporating the effect of scatterings due to the disordered dopant atoms into the FLEX formalism, our numerical results show that the antiferromagnetic transition temperature, the onset temperature of pseudogap due to spin fluctuations, the spectral density of the single particle near the Fermi surface, and the staggered magnetization in the AF phase as a function of electron doping can consistently account for the experimental measurements.

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H - TaS 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, J.; Wijayaratne, K.; Butler, A.

We report an in-depth angle-resolved photoemission spectroscopy study on 2H-TaS2, a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2H-TaSe2 and 2H-NbSe2, the energy gap (triangle(CDW)) of 2H-TaS2 is localized along the K-centered Fermi surface barrels and is particle-hole asymmetric. The persistence of triangle(CDW) even at temperatures higher than the CDW transition temperature T-CDW in 2H-TaS2, reflects the similar pseudogap behavior observed previously in 2H-TaSe2 and 2H-NbSe2. However, in sharp contrast to 2H-NbSe2, where triangle(CDW) is nonzero only in the vicinity of a few "hot spots" on the innerK-centered Fermimore » surface barrels, triangle(CDW) in 2H-TaS2 is nonzero along the entirety of both K-centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of triangle(CDW) between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.« less

Vacuum phonon tunneling.

PubMed

Altfeder, Igor; Voevodin, Andrey A; Roy, Ajit K

2010-10-15

Field-induced phonon tunneling, a previously unknown mechanism of interfacial thermal transport, has been revealed by ultrahigh vacuum inelastic scanning tunneling microscopy (STM). Using thermally broadened Fermi-Dirac distribution in the STM tip as in situ atomic-scale thermometer we found that thermal vibrations of the last tip atom are effectively transmitted to sample surface despite few angstroms wide vacuum gap. We show that phonon tunneling is driven by interfacial electric field and thermally vibrating image charges, and its rate is enhanced by surface electron-phonon interaction.

Electron-ion coupling in semiconductors beyond Fermi's Golden Rule [On the electron-ion coupling in semiconductors beyond Fermi's Golden Rule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medvedev, Nikita; Li, Zheng; Tkachenko, Victor

2017-01-31

In the present study, a theoretical study of electron-phonon (electron-ion) coupling rates in semiconductors driven out of equilibrium is performed. Transient change of optical coefficients reflects the band gap shrinkage in covalently bonded materials, and thus, the heating of atomic lattice. Utilizing this dependence, we test various models of electron-ion coupling. The simulation technique is based on tight-binding molecular dynamics. Our simulations with the dedicated hybrid approach (XTANT) indicate that the widely used Fermi's golden rule can break down describing material excitation on femtosecond time scales. In contrast, dynamical coupling proposed in this work yields a reasonably good agreement ofmore » simulation results with available experimental data.« less

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu2Su2

NASA Astrophysics Data System (ADS)

Yamagami, Hiroshi

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu2Si2 are reconsidered using a relativistic LAPW method within a local spin-density approximation, especially taking into account the lattice parameters dependent on pressures. The reduction of the z-coordinate of the Si sites results in the effect of flattening the Ru-Si layers of URu2Si2 crystal structure, thus weakening a hybridization/mixing between the U-5f and Ru-4d states in the band structure. Consequently the 5f bands around the Fermi level are more flat in the dispersion with decreasing the z-coordinate, thus producing three closed Fermi surfaces like "curing-stone", "rugby-ball " and "ball". The origins of de Haas-van Alphen branches can be qualitatively interpreted from the obtained AFM Fermi surfaces.

EUO-Based Multifunctional Heterostructures

DTIC Science & Technology

2015-06-06

magnetoresistance and the metal -insulator transition resistance ratios of doped EuO by interfacing this semiconductor with niobium; the observed effect is...general and may be applied to any metal /semiconductor interface where the semiconductor shows large Zeeman splitting under magnetic field, (2...understanding the changes in electronic structure and Fermi-surface reconstruction that occur as doped EuO progresses through the ferromagnetic metal

Superconductivity and charge density wave in ZrTe 3–xSe x

DOE PAGES

Zhu, Xiangde; Ning, Wei; Li, Lijun; ...

2016-06-02

Charge density wave (CDW), the periodic modulation of the electronic charge density, will open a gap on the Fermi surface that commonly leads to decreased or vanishing conductivity. On the other hand superconductivity, a commonly believed competing order, features a Fermi surface gap that results in infinite conductivity. Here we report that superconductivity emerges upon Se doping in CDW conductor ZrTe 3 when the long range CDW order is gradually suppressed. Superconducting critical temperature T c(x) in ZrTe 3–xSe x (0 ≤ x ≤ 0.1) increases up to 4 K plateau for 0.04 ≤ x ≤ 0.07. Further increase inmore » Se content results in diminishing T c and filametary superconductivity. The CDW modes from Raman spectra are observed in x = 0.04 and 0.1 crystals, where signature of ZrTe 3 CDW order in resistivity vanishes. As a result, the electronic-scattering for high T c crystals is dominated by local CDW fluctuations at high temperatures, the resistivity is linear up to highest measured T = 300 K and contributes to substantial in-plane anisotropy.« less

Fermi bubbles as a source of cosmic rays above 1015 eV

NASA Astrophysics Data System (ADS)

Chernyshov, D. O.; Cheng, K. S.; Dogiel, V. A.; Ko, C. M.

2014-11-01

Fermi bubbles are giant gamma-ray structures extended north and south of the Galactic center with characteristic sizes of order of 10 kpc recently discovered by Fermi Large Area Telescope. Good correlation between radio and gamma-ray emission in the region covered by Fermi bubbles implies the presence of high-energy electrons in this region. Since it is relatively difficult for relativistic electrons of this energy to travel all the way from the Galactic sources toward Fermi bubbles one can assume that they accelerated in-situ. The corresponding acceleration mechanism should also affect the distribution of the relativistic protons in the Galaxy. Since protons have much larger lifetimes the effect may even be observed near the Earth. In our model we suggest that Fermi bubbles are created by acceleration of electrons on series of shocks born due to periodic star accretions by supermassive black hole Sgr A*. We propose that hadronic CR within the 'knee' of the observed CR spectrum are produced by Galactic supernova remnants distributed in the Galactic disk. Reacceleration of these particles in the Fermi Bubble produces CRs beyond the knee. This model provides a natural explanation of the observed CR flux, spectral indexes, and matching of spectra at the knee.

Fermi arc mediated entropy transport in topological semimetals

NASA Astrophysics Data System (ADS)

McCormick, Timothy M.; Watzman, Sarah J.; Heremans, Joseph P.; Trivedi, Nandini

2018-05-01

The low-energy excitations of topological Weyl semimetals are composed of linearly dispersing Weyl fermions that act as monopoles of Berry curvature in the bulk momentum space. Furthermore, on the surface there exist topologically protected Fermi arcs at the projections of these Weyl points. We propose a pathway for entropy transport involving Fermi arcs on one surface connecting to Fermi arcs on the other surface via the bulk Weyl monopoles. We present results for the temperature and magnetic field dependence of the magnetothermal conductance of this conveyor belt channel. The circulating currents result in a net entropy transport without any net charge transport. We provide results for the Fermi arc mediated magnetothermal conductivity in the low-field semiclassical limit as well as in the high-field ultraquantum limit, where only chiral Landau levels are involved. Our work provides a proposed signature of Fermi arc mediated magnetothermal transport and sets the stage for utilizing and manipulating the topological Fermi arcs in thermal applications.

Effects of hydrogen treatment on ohmic contacts to p-type GaN films

NASA Astrophysics Data System (ADS)

Huang, Bohr-Ran; Chou, Chia-Hui; Ke, Wen-Cheng; Chou, Yi-Lun; Tsai, Chia-Lung; Wu, Meng-chyi

2011-06-01

This study investigated the effects of hydrogen (H 2) treatment on metal contacts to Mg-doped p-GaN films by Hall-effect measurement, current-voltage ( I- V) analyzer and X-ray photoemission spectra (XPS). The interfacial oxide layer on the p-GaN surface was found to be the main reason for causing the nonlinear I- V behavior of the untreated p-GaN films. The increased nitrogen vacancy (V N) density due to increased GaN decomposition rate at high-temperature hydrogen treatment is believed to form high density surface states on the surface of p-GaN films. Compared to untreated p-GaN films, the surface Fermi level determined by the Ga 2p core-level peak on 1000 °C H 2-treated p-GaN films lies about ˜2.1 eV closer to the conduction band edge (i.e., the surface inverted to n-type behavior). The reduction in barrier height due to the high surface state density pinned the surface Fermi level close to the conduction band edge, and allowed the electrons to easily flow over the barrier from the metal into the p-GaN films. Thus, a good ohmic contact was achieved on the p-GaN films by the surface inversion method.

Importance of the Fermi-surface topology to the superconducting state of the electron-doped pnictide Ba(Fe 1-xCo x)₂As₂

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Chang; Palczewski, A. D.; Dhaka, R. S.

We used angle-resolved photoemission spectroscopy and thermoelectric power to study the poorly explored, highly overdoped side of the phase diagram of Ba(Fe 1-xCo x)₂As₂ high-temperature superconductor. Our data demonstrate that several Lifshitz transitions—topological changes of the Fermi surface—occur for large x. The central hole barrel changes to ellipsoids that are centered at Z at x~0.11 and subsequently disappear around x~0.2; changes in thermoelectric power occur at similar x values. T c decreases and goes to zero around x~0.15—between the two Lifshitz transitions. Beyond x=0.2 the central pocket becomes electron-like and superconductivity does not exist. Our observations reveal the importance ofmore » the underlying Fermiology in electron-doped iron arsenides. We speculate that a likely necessary condition for superconductivity in these materials is the presence of the central hole pockets rather than nesting between central and corner pockets.« less

Importance of the Fermi-surface topology to the superconducting state of the electron-doped pnictide Ba(Fe 1-xCo x)₂As₂

DOE PAGES

Liu, Chang; Palczewski, A. D.; Dhaka, R. S.; ...

2011-07-25

We used angle-resolved photoemission spectroscopy and thermoelectric power to study the poorly explored, highly overdoped side of the phase diagram of Ba(Fe 1-xCo x)₂As₂ high-temperature superconductor. Our data demonstrate that several Lifshitz transitions—topological changes of the Fermi surface—occur for large x. The central hole barrel changes to ellipsoids that are centered at Z at x~0.11 and subsequently disappear around x~0.2; changes in thermoelectric power occur at similar x values. T c decreases and goes to zero around x~0.15—between the two Lifshitz transitions. Beyond x=0.2 the central pocket becomes electron-like and superconductivity does not exist. Our observations reveal the importance ofmore » the underlying Fermiology in electron-doped iron arsenides. We speculate that a likely necessary condition for superconductivity in these materials is the presence of the central hole pockets rather than nesting between central and corner pockets.« less

Role of defects in the carrier-tunable topological-insulator (Bi1 -xSbx )2Te3 thin films

NASA Astrophysics Data System (ADS)

Scipioni, Kane L.; Wang, Zhenyu; Maximenko, Yulia; Katmis, Ferhat; Steiner, Charlie; Madhavan, Vidya

2018-03-01

Alloys of Bi2Te3 and Sb2Te3[(Bi1-xSbx) 2Te3] have played an essential role in the exploration of topological surface states, allowing us to study phenomena that would otherwise be obscured by bulk contributions to conductivity. Despite intensive transport and angle resolved photoemission (ARPES) studies, important questions about this system remain unanswered. For example, previous studies reported the chemical tuning of the Fermi level to the Dirac point by controlling the Sb:Bi composition ratio, but the optimum ratio varies widely across various studies. Moreover, it is unclear how the quasiparticle lifetime is affected by the disorder resulting from Sb/Bi alloying. In this work, we use scanning tunneling microscopy and spectroscopy to study the electronic structure of epitaxially grown (Bi,Sb) 2Te3 thin films at the nanoscale. We study Landau levels (LLs) to determine the effect of disorder on the quasiparticle lifetime as well as the position of the Dirac point with respect to the Fermi energy. A plot of the LL peak widths shows that despite the intrinsic disorder, the quasiparticle lifetime is not significantly degraded. We further determine that the ideal Sb concentration to place the Fermi energy to within a few meV of the Dirac point is x ˜0.7 , but that postannealing temperatures can have a significant effect on the crystallinity and Fermi level position. Specifically, high postgrowth annealing temperature can result in better crystallinity and surface roughness, but also produces a larger Te defect density which adds n -type carriers. Finally, in combination with quasiparticle interference imaging, the dispersion is revealed over a large energy range above the Fermi energy, in a regime inaccessible to ARPES. Interestingly, the surface state dispersion for the x ˜0.7 sample shows great similarity to pristine Bi2Te3 . This work provides microscopic information on the role of disorder and composition in determining carrier concentration, surface state dispersion, and quasiparticle lifetime in (Bi1 -xSbx )2Te3 .

Superconductivity mediated by quantum critical antiferromagnetic fluctuations: The rise and fall of hot spots

NASA Astrophysics Data System (ADS)

Wang, Xiaoyu; Schattner, Yoni; Berg, Erez; Fernandes, Rafael M.

2017-05-01

In several unconventional superconductors, the highest superconducting transition temperature Tc is found in a region of the phase diagram where the antiferromagnetic transition temperature extrapolates to zero, signaling a putative quantum critical point. The elucidation of the interplay between these two phenomena—high-Tc superconductivity and magnetic quantum criticality—remains an important piece of the complex puzzle of unconventional superconductivity. In this paper, we combine sign-problem-free quantum Monte Carlo simulations and field-theoretical analytical calculations to unveil the microscopic mechanism responsible for the superconducting instability of a general low-energy model, called the spin-fermion model. In this approach, low-energy electronic states interact with each other via the exchange of quantum critical magnetic fluctuations. We find that even in the regime of moderately strong interactions, both the superconducting transition temperature and the pairing susceptibility are governed not by the properties of the entire Fermi surface, but instead by the properties of small portions of the Fermi surface called hot spots. Moreover, Tc increases with increasing interaction strength, until it starts to saturate at the crossover from hot-spots-dominated to Fermi-surface-dominated pairing. Our work provides not only invaluable insights into the system parameters that most strongly affect Tc, but also important benchmarks to assess the origin of superconductivity in both microscopic models and actual materials.

Enhanced electron emission from coated metal targets: Effect of surface thickness on performance

NASA Astrophysics Data System (ADS)

Madas, Saibabu; Mishra, S. K.; Upadhyay Kahaly, Mousumi

2018-03-01

In this work, we establish an analytical formalism to address the temperature dependent electron emission from a metallic target with thin coating, operating at a finite temperature. Taking into account three dimensional parabolic energy dispersion for the target (base) material and suitable thickness dependent energy dispersion for the coating layer, Fermi Dirac statistics of electron energy distribution and Fowler's mechanism of the electron emission, we discuss the dependence of the emission flux on the physical properties such as the Fermi level, work function, thickness of the coating material, and operating temperature. Our systematic estimation of how the thickness of coating affects the emission current demonstrates superior emission characteristics for thin coating layer at high temperature (above 1000 K), whereas in low temperature regime, a better response is expected from thicker coating layer. This underlying fundamental behavior appears to be essentially identical for all configurations when work function of the coating layer is lower than that of the bulk target work function. The analysis and predictions could be useful in designing new coated materials with suitable thickness for applications in the field of thin film devices and field emitters.

One-electron propagation in Fermi, Pasta, Ulam disordered chains with Gaussian acoustic pulse pumping

NASA Astrophysics Data System (ADS)

Silva, L. D. Da; Dos Santos, J. L. L.; Ranciaro Neto, A.; Sales, M. O.; de Moura, F. A. B. F.

In this work, we consider a one-electron moving on a Fermi, Pasta, Ulam disordered chain under effect of electron-phonon interaction and a Gaussian acoustic pulse pumping. We describe electronic dynamics using quantum mechanics formalism and the nonlinear atomic vibrations using standard classical physics. Solving numerical equations related to coupled quantum/classical behavior of this system, we study electronic propagation properties. Our calculations suggest that the acoustic pumping associated with the electron-lattice interaction promote a sub-diffusive electronic dynamics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gyenis, András; Inoue, Hiroyuki; Jeon, Sangjun

Following the intense studies on topological insulators, significant efforts have recently been devoted to the search for gapless topological systems. These materials not only broaden the topological classification of matter but also provide a condensed matter realization of various relativistic particles and phenomena previously discussed mainly in high energy physics. Weyl semimetals host massless, chiral, low-energy excitations in the bulk electronic band structure, whereas a symmetry protected pair of Weyl fermions gives rise to massless Dirac fermions.Weemployed scanning tunneling microscopy/spectroscopy to explore the behavior of electronic states both on the surface and in the bulk of topological semimetal phases. Bymore » mapping the quasiparticle interference (QPI) and emerging Landau levels at high magnetic field in Dirac semimetals Cd 3As 2 and Na 3Bi, we observed extended Dirac-like bulk electronic bands. QPI imaged on Weyl semimetal TaAs demonstrated the predicted momentum dependent delocalization of Fermi arc surface states in the vicinity of the surface projected Weyl nodes.« less

Electronic structure study of wide band gap magnetic semiconductor (La0.6Pr0.4)0.65Ca0.35MnO3 nanocrystals in paramagnetic and ferromagnetic phases

NASA Astrophysics Data System (ADS)

Dwivedi, G. D.; Joshi, Amish G.; Kumar, Shiv; Chou, H.; Yang, K. S.; Jhong, D. J.; Chan, W. L.; Ghosh, A. K.; Chatterjee, Sandip

2016-04-01

X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La0.6Pr0.4)0.65Ca0.35MnO3 near Fermi-level. XMCD results indicate that Mn3+ and Mn4+ spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La0.6Pr0.4)0.65Ca0.35MnO3 system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below TC. The valence band UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.

Energy and Momentum Relaxation Times of 2D Electrons Due to Near Surface Deformation Potential Scattering

NASA Astrophysics Data System (ADS)

Pipa, Viktor; Vasko, Fedor; Mitin, Vladimir

1997-03-01

The low temperature energy and momentum relaxation rates of 2D electron gas placed near the free or clamped surface of a semi-infinit sample are calculated. To describe the electron-acoustic phonon interaction with allowance of the surface effect the method of elasticity theory Green functions was used. This method allows to take into account the reflection of acoustic waves from the surface and related mutual conversion of LA and TA waves. It is shown that the strength of the deformation potential scattering at low temperatures substantially depends on the mechanical conditions at the surface: relaxation rates are suppressed for the free surface while for the rigid one the rates are enhanced. The dependence of the conductivity on the distance between the 2D layer and the surface is discussed. The effect is most pronounced in the range of temperatures 2 sl pF < T < (2 hbar s_l)/d, where pF is the Fermi momentum, sl is the velocity of LA waves, d is the width of the quantum well.

Unoccupied surface states of LaB6(001) studied by k -resolved inverse photoemission

NASA Astrophysics Data System (ADS)

Morimoto, Osamu; Kunii, Satoru; Kakizaki, Akito

2006-06-01

We have measured k -resolved inverse photoemission spectra of LaB6(001) to study unoccupied surface states. The surface states are observed near the Fermi level (EF) and at 6.8eV above EF , which are originated from La5d and La4f states, respectively. The surface state near EF shows energy dispersion along the Γ - M direction of the surface Brillouin zone, which does not agree with that of a recently reported theoretical calculation. It is deduced that at a LaB6(001) surface, electrons are transferred from the subsurface to the topmost La layer. This charge redistribution can reduce surface dipole moments.

Unusual Evolution of the Conduction-Electron State in CexLa1-xB6 from Non-Fermi Liquid to Fermi Liquid

NASA Astrophysics Data System (ADS)

Nakamura, S.; Endo, M.; Yamamoto, H.; Isshiki, T.; Kimura, N.; Aoki, H.; Nojima, T.; Otani, S.; Kunii, S.

2006-12-01

We report unusual evolution of the conduction-electron state in the localized f electron system CexLa1-xB6 from normal electron state to heavy Fermi liquid (FL) state through local FL and non-FL states with increasing Ce concentration and/or with increasing magnetic field. The effective mass of quasiparticle or the coefficient A of T2 term of resistivity is found to increase divergently near the boundary between FL state and non-FL state. The features of the non-FL state are also different from those of the typical non-FL systems previously observed or theoretically predicted.

Optimized Hypernetted-Chain Solutions for Helium -4 Surfaces and Metal Surfaces

NASA Astrophysics Data System (ADS)

Qian, Guo-Xin

This thesis is a study of inhomogeneous Bose systems such as liquid ('4)He slabs and inhomogeneous Fermi systems such as the electron gas in metal films, at zero temperature. Using a Jastrow-type many-body wavefunction, the ground state energy is expressed by means of Bogoliubov-Born-Green-Kirkwood -Yvon and Hypernetted-Chain techniques. For Bose systems, Euler-Lagrange equations are derived for the one- and two -body functions and systematic approximation methods are physically motivated. It is shown that the optimized variational method includes a self-consistent summation of ladder- and ring-diagrams of conventional many-body theory. For Fermi systems, a linear potential model is adopted to generate the optimized Hartree-Fock basis. Euler-Lagrange equations are derived for the two-body correlations which serve to screen the strong bare Coulomb interaction. The optimization of the pair correlation leads to an expression of correlation energy in which the state averaged RPA part is separated. Numerical applications are presented for the density profile and pair distribution function for both ('4)He surfaces and metal surfaces. Both the bulk and surface energies are calculated in good agreement with experiments.

Spin-resolved band structure of a densely packed Pb monolayer on Si(111)

NASA Astrophysics Data System (ADS)

Brand, C.; Muff, S.; Fanciulli, M.; Pfnür, H.; Tringides, M. C.; Dil, J. H.; Tegenkamp, C.

2017-07-01

Monolayer structures of Pb on Si(111) attracted recently considerable interest as superconductivity was found in these truly two-dimensional (2D) structures. In this study, we analyzed the electronic surface band structure of the so-called striped incommensurate Pb phase with 4/3 ML coverage by means of spin-resolved photoemission spectroscopy. Our results fully agree with density functional theory calculations done by Ren et al. [Phys. Rev. B 94, 075436 (2016), 10.1103/PhysRevB.94.075436]. We observe a local Zeeman-type splitting of a fully occupied and spin-polarized surface band at the K¯√{3} points. The growth of this densely packed Pb structure results in the formation of imbalanced rotational domains, which triggered the detection of C3 v symmetry forbidden spin components for surface states around the Fermi energy. Moreover, the Fermi surface of the metallic surface state of this phase is Rashba spin split and revealed a pronounced warping. However, the 2D nesting vectors are incommensurate with the atomic structure, thus keeping this system rather immune against charge density wave formation and possibly enabling a superconducting behavior.

Reduction of Fermi level pinning and recombination at polycrystalline CdTe surfaces by laser irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simonds, Brian J.; Kheraj, Vipul; Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007

2015-06-14

Laser processing of polycrystalline CdTe is a promising approach that could potentially increase module manufacturing throughput while reducing capital expenditure costs. For these benefits to be realized, the basic effects of laser irradiation on CdTe must be ascertained. In this study, we utilize surface photovoltage spectroscopy (SPS) to investigate the changes to the electronic properties of the surface of polycrystalline CdTe solar cell stacks induced by continuous-wave laser annealing. The experimental data explained within a model consisting of two space charge regions, one at the CdTe/air interface and one at the CdTe/CdS junction, are used to interpret our SPS results.more » The frequency dependence and phase spectra of the SPS signal are also discussed. To support the SPS findings, low-temperature spectrally-resolved photoluminescence and time-resolved photoluminescence were also measured. The data show that a modest laser treatment of 250 W/cm{sup 2} with a dwell time of 20 s is sufficient to reduce the effects of Fermi level pinning at the surface due to surface defects.« less

Quasiparticles and Fermi liquid behaviour in an organic metal

PubMed Central

Kiss, T.; Chainani, A.; Yamamoto, H.M.; Miyazaki, T.; Akimoto, T.; Shimojima, T.; Ishizaka, K.; Watanabe, S.; Chen, C.-T.; Fukaya, A.; Kato, R.; Shin, S.

2012-01-01

Many organic metals display exotic properties such as superconductivity, spin-charge separation and so on and have been described as quasi-one-dimensional Luttinger liquids. However, a genuine Fermi liquid behaviour with quasiparticles and Fermi surfaces have not been reported to date for any organic metal. Here, we report the experimental Fermi surface and band structure of an organic metal (BEDT-TTF)3Br(pBIB) obtained using angle-resolved photoelectron spectroscopy, and show its consistency with first-principles band structure calculations. Our results reveal a quasiparticle renormalization at low energy scales (effective mass m*=1.9 me) and ω2 dependence of the imaginary part of the self energy, limited by a kink at ~50 meV arising from coupling to molecular vibrations. The study unambiguously proves that (BEDT-TTF)3Br(pBIB) is a quasi-2D organic Fermi liquid with a Fermi surface consistent with Shubnikov-de Haas results. PMID:23011143

Thermodynamic properties of ideal Fermi gases in a harmonic potential in an n-dimensional space under the generalized uncertainty principle

NASA Astrophysics Data System (ADS)

Li, Heling; Ren, Jinxiu; Wang, Wenwei; Yang, Bin; Shen, Hongjun

2018-02-01

Using the semi-classical (Thomas-Fermi) approximation, the thermodynamic properties of ideal Fermi gases in a harmonic potential in an n-dimensional space are studied under the generalized uncertainty principle (GUP). The mean particle number, internal energy, heat capacity and other thermodynamic variables of the Fermi system are calculated analytically. Then, analytical expressions of the mean particle number, internal energy, heat capacity, chemical potential, Fermi energy, ground state energy and amendments of the GUP are obtained at low temperatures. The influence of both the GUP and the harmonic potential on the thermodynamic properties of a copper-electron gas and other systems with higher electron densities are studied numerically at low temperatures. We find: (1) When the GUP is considered, the influence of the harmonic potential is very much larger, and the amendments produced by the GUP increase by eight to nine orders of magnitude compared to when no external potential is applied to the electron gas. (2) The larger the particle density, or the smaller the particle masses, the bigger the influence of the GUP. (3) The effect of the GUP increases with the increase in the spatial dimensions. (4) The amendments of the chemical potential, Fermi energy and ground state energy increase with an increase in temperature, while the heat capacity decreases. T F0 is the Fermi temperature of the ideal Fermi system in a harmonic potential. When the temperature is lower than a certain value (0.22 times T F0 for the copper-electron gas, and this value decreases with increasing electron density), the amendment to the internal energy is positive, however, the amendment decreases with increasing temperature. When the temperature increases to the value, the amendment is zero, and when the temperature is higher than the value, the amendment to the internal energy is negative and the absolute value of the amendment increases with increasing temperature. (5) When electron density is greater than or equal to 1037 m-3, the influence of the GUP becomes the dominant factor affecting the thermodynamic properties of the system.

Low-energy surface states in the normal state of α - PdBi 2 superconductor

DOE PAGES

Choi, Hongchul; Neupane, Madhab; Sasagawa, T.; ...

2017-08-25

Topological superconductors as characterized by Majorana surface states have been actively searched for their significance in fundamental science and technological implication. The large spin-orbit coupling in Bi-Pd binaries has stimulated extensive investigations on the topological surface states in these superconducting compounds. Here we report a study of normal-state electronic structure in a centrosymmetric α-PdBi 2 within density functional theory calculations. By investigating the electronic structure from the bulk to slab geometries in this system, we predict for the first time that α-PdBi 2 can host orbital-dependent and asymmetric Rashba surface states near the Fermi energy. This study suggests that α-PdBimore » 2 will be a good candidate to explore the relationship between superconductivity and topology in condensed matter physics.« less

Non-Fermi-liquid magic angle effects in high magnetic fields

NASA Astrophysics Data System (ADS)

Lebed, A. G.

2016-07-01

We investigate a theoretical problem of electron-electron interactions in an inclined magnetic field in a quasi-one-dimensional (Q1D) conductor. We show that they result in strong non-Fermi-liquid corrections to a specific heat, provided that the direction of the magnetic field is far from the so-called Lebed's magic angles (LMAs). If magnetic field is directed close to one of the LMAs, the specific heat corrections become small and the Fermi-liquid picture restores. As a result, we predict Fermi-liquid-non-Fermi-liquid angular crossovers in the vicinities of the LMA directions of the field. We suggest to perform the corresponding experiment in the Q1D conductor (Per) 2Au (mnt) 2 under pressure in magnetic fields of the order of H ≃25 T .

Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon

NASA Astrophysics Data System (ADS)

Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu. A.; Baramygin, A. V.; Zashikhin, G. D.; Pshenichnyuk, S. A.

2018-04-01

The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1-2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the.

Type-II Weyl semimetals.

PubMed

Soluyanov, Alexey A; Gresch, Dominik; Wang, Zhijun; Wu, QuanSheng; Troyer, Matthias; Dai, Xi; Bernevig, B Andrei

2015-11-26

Fermions--elementary particles such as electrons--are classified as Dirac, Majorana or Weyl. Majorana and Weyl fermions had not been observed experimentally until the recent discovery of condensed matter systems such as topological superconductors and semimetals, in which they arise as low-energy excitations. Here we propose the existence of a previously overlooked type of Weyl fermion that emerges at the boundary between electron and hole pockets in a new phase of matter. This particle was missed by Weyl because it breaks the stringent Lorentz symmetry in high-energy physics. Lorentz invariance, however, is not present in condensed matter physics, and by generalizing the Dirac equation, we find the new type of Weyl fermion. In particular, whereas Weyl semimetals--materials hosting Weyl fermions--were previously thought to have standard Weyl points with a point-like Fermi surface (which we refer to as type-I), we discover a type-II Weyl point, which is still a protected crossing, but appears at the contact of electron and hole pockets in type-II Weyl semimetals. We predict that WTe2 is an example of a topological semimetal hosting the new particle as a low-energy excitation around such a type-II Weyl point. The existence of type-II Weyl points in WTe2 means that many of its physical properties are very different to those of standard Weyl semimetals with point-like Fermi surfaces.

A method for atomic-level noncontact thermometry with electron energy distribution

NASA Astrophysics Data System (ADS)

Kinoshita, Ikuo; Tsukada, Chiharu; Ouchi, Kohei; Kobayashi, Eiichi; Ishii, Juntaro

2017-04-01

We devised a new method of determining the temperatures of materials with their electron-energy distributions. The Fermi-Dirac distribution convoluted with a linear combination of Gaussian and Lorentzian distributions was fitted to the photoelectron spectrum measured for the Au(110) single-crystal surface at liquid N2-cooled temperature. The fitting successfully determined the surface-local thermodynamic temperature and the energy resolution simultaneously from the photoelectron spectrum, without any preliminary results of other measurements. The determined thermodynamic temperature was 99 ± 2.1 K, which was in good agreement with the reference temperature of 98.5 ± 0.5 K measured using a silicon diode sensor attached to the sample holder.

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

PubMed Central

Wang, Yi X.; Wu, Q.; Chen, Xiang R.; Geng, Hua Y.

2016-01-01

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium. PMID:27581551

Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

NASA Astrophysics Data System (ADS)

Urru, Andrea; Dal Corso, Andrea

2018-05-01

We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

Electronic properties of Al xGa 1- xAs surface passivated by ultrathin silicon interface control layer

NASA Astrophysics Data System (ADS)

Adamowicz, B.; Miczek, M.; Ikeya, K.; Mutoh, M.; Saitoh, T.; Fujikura, H.; Hasegawa, H.

1999-03-01

The photoluminescence surface state spectroscopy (PLS 3) method was applied to a study of the surface state distribution ( NSS), effective surface recombination velocity ( Seff), electron ( EFn) and hole ( EFp) quasi-Fermi levels and band bending ( VS) on the Al 0.33Ga 0.67As surface air-exposed and passivated by the Si interface control layer (ICL) technique. Using the detailed measurements of the PL quantum efficiency for different excitation intensities, combined with the rigorous computer simulations of the bulk and surface recombination processes, the behavior and correlation among the surface characteristics under photo-excitation was determined. The present analysis indicated that forming of a Si 3N 4/Si ICL double layer (with a monolayer level control) on AlGaAs surface reduces the minimum interface state density down to 10 10 cm -2 eV -1 and surface recombination velocity to the range of 10 4 cm/s under low excitations.

Time-dependent models for blazar emission with the second-order Fermi acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Asano, Katsuaki; Takahara, Fumio; Toma, Kenji

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations. The hard electron spectrum predicted by the Fermi-II process agrees with the hard photon spectrum of 1ES 1101–232. For other blazars that show softer spectra, the Fermi-II model requires radial evolution of the electron injection rate and/or diffusion coefficient in the outflow. Such evolutions can yield a curved electron spectrum, which can reproduce the synchrotron spectrum of Mrk 421 from the radio to the X-ray regime. The photon spectrum in the GeV energy range ofmore » Mrk 421 is hard to fit with a synchrotron self-Compton model. However, if we introduce an external radio photon field with a luminosity of 4.9 × 10{sup 38} erg s{sup –1}, GeV photons are successfully produced via inverse Compton scattering. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.« less

Tunneling Spectroscopy of Chemically Treated Surfaces of GaAs(001)

NASA Astrophysics Data System (ADS)

Fan, Jia-Fa; Tokumoto, Hiroshi

1996-03-01

Effect of surface chemical treatment on the surface electronic properties of GaAs(001) was studied by tunneling spectroscopy. Samples of highly-Si-doped GaAs were first cleaned and etched using conventional processes, then soaked in aqueous solutions of (NH_4)_2Sx and/or NH_4F for few hours, and finally rinsed in ethanol. The constant separation spectroscopy was done under pure N2 ambient at room temperature (295K) with our scanning tunneling microscope (STM). As a result, the sulfide treament lead to electron tunnelings starting typically at the sample voltages of -0.50 V and 0.90 V at initial settings of 1.50 V and 0.20 nA. For etched-only surface, however, the starting voltages were -0.70 V and 0.70 V. Effects of heating, laser-irradiation, and the fluoride treatment will be presented. Also, the mechanism of the shift of the surface Fermi level will be discussed.

Spin-imbalanced pairing and Fermi surface deformation in flat bands

NASA Astrophysics Data System (ADS)

Huhtinen, Kukka-Emilia; Tylutki, Marek; Kumar, Pramod; Vanhala, Tuomas I.; Peotta, Sebastiano; Törmä, Päivi

2018-06-01

We study the attractive Hubbard model with spin imbalance on two lattices featuring a flat band: the Lieb and kagome lattices. We present mean-field phase diagrams featuring exotic superfluid phases, similar to the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state, whose stability is confirmed by dynamical mean-field theory. The nature of the pairing is found to be richer than just the Fermi surface shift responsible for the usual FFLO state. The presence of a flat band allows for changes in the particle momentum distributions at null energy cost. This facilitates formation of nontrivial superfluid phases via multiband Cooper pair formation: the momentum distribution of the spin component in the flat band deforms to mimic the Fermi surface of the other spin component residing in a dispersive band. The Fermi surface of the unpaired particles that are typical for gapless superfluids becomes deformed as well. The results highlight the profound effect of flat dispersions on Fermi surface instabilities, and provide a potential route for observing spin-imbalanced superfluidity and superconductivity.

Imaging electronic states on topological semimetals using scanning tunneling microscopy

DOE PAGES

Gyenis, András; Inoue, Hiroyuki; Jeon, Sangjun; ...

2016-10-18

Following the intense studies on topological insulators, significant efforts have recently been devoted to the search for gapless topological systems. These materials not only broaden the topological classification of matter but also provide a condensed matter realization of various relativistic particles and phenomena previously discussed mainly in high energy physics. Weyl semimetals host massless, chiral, low-energy excitations in the bulk electronic band structure, whereas a symmetry protected pair of Weyl fermions gives rise to massless Dirac fermions.Weemployed scanning tunneling microscopy/spectroscopy to explore the behavior of electronic states both on the surface and in the bulk of topological semimetal phases. Bymore » mapping the quasiparticle interference (QPI) and emerging Landau levels at high magnetic field in Dirac semimetals Cd 3As 2 and Na 3Bi, we observed extended Dirac-like bulk electronic bands. QPI imaged on Weyl semimetal TaAs demonstrated the predicted momentum dependent delocalization of Fermi arc surface states in the vicinity of the surface projected Weyl nodes.« less

Engineering the electronic structure of graphene superlattices via Fermi velocity modulation

NASA Astrophysics Data System (ADS)

Lima, Jonas R. F.

2017-01-01

Graphene superlattices have attracted much research interest in the last years, since it is possible to manipulate the electronic properties of graphene in these structures. It has been verified that extra Dirac points appear in the electronic structure of the system. The electronic structure in the vicinity of these points has been studied for a gapless and gapped graphene superlattice and for a graphene superlattice with a spatially modulated energy gap. In each case a different behavior was obtained. In this work we show that via Fermi velocity engineering it is possible to tune the electronic properties of a graphene superlattice to match all the previous cases studied. We also obtained new features of the system never observed before, reveling that the electronic structure of graphene is very sensitive to the modulation of the Fermi velocity. The results obtained here are relevant for the development of novel graphene-based electronic devices.

Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (1 1 2) surface

NASA Astrophysics Data System (ADS)

Qi, Rong-fei; Wang, Zhao-hui; Tang, Fu-ling; Agbonkina, Itohan C.; Xue, Hong-tao; Si, Feng-juan; Ma, Sheng-ling; Wang, Xiao-ka

2018-06-01

Using the first-principles calculations within the density functional-theory (DFT) framework, we theoretically investigated the surface reconstruction, surface states near the Fermi level and their passivation on CuIn0.75Ga0.25Se2 (1 1 2) (CIGS) surface by chlorine, fluorine and hydrogen. Surface reconstruction appears on CIG-terminated CIGS (1 1 2) surface and it is a self-passivation. For the locations of Cl, F and H atoms adsorbing on Se-terminated CIGS (1 1 2) surface, four high symmetry adsorption sites: top sites, bridge sites, hexagonal close-packed (hcp) sites and faced centered cubic (fcc) sites were studied respectively. With the coverage of 0.5 monolayer (ML), Cl, F and H adatoms energetically occupy the top sites on the CIGS (112) surface. The corresponding adsorption energies were -2.20 eV, -3.29 eV, -2.60 eV, respectively. The bond length and electronic properties were analyzed. We found that the surface state density near the Fermi level was markedly diminished for 0.5 ML Cl, F and H adsorption on Se-terminated CIGS (1 1 2) surface at top sites. It was also found that H can more efficiently passivate the surface state density than Cl and F atoms, and the effect of adsorption of Cl atoms is better than that of F.

Electronic and Magnetic Properties of Ni-Doped Zinc-Blende ZnO: A First-Principles Study.

PubMed

Xue, Suqin; Zhang, Fuchun; Zhang, Shuili; Wang, Xiaoyang; Shao, Tingting

2018-04-26

The electronic structure, band structure, density of state, and magnetic properties of Ni-doped zinc-blende (ZB) ZnO are studied by using the first-principles method based on the spin-polarized density-functional theory. The calculated results show that Ni atoms can induce a stable ferromagnetic (FM) ground state in Ni-doped ZB ZnO. The magnetic moments mainly originate from the unpaired Ni 3 d orbitals, and the O 2 p orbitals contribute a little to the magnetic moments. The magnetic moment of a supercell including a single Ni atom is 0.79 μ B . The electronic structure shows that Ni-doped ZB ZnO is a half-metallic FM material. The strong spin-orbit coupling appears near the Fermi level and shows obvious asymmetry for spin-up and spin-down density of state, which indicates a significant hybrid effects from the Ni 3 d and O 2 p states. However, the coupling of the anti-ferromagnetic (AFM) state show metallic characteristic, the spin-up and spin-down energy levels pass through the Fermi surface. The magnetic moment of a single Ni atom is 0.74 μ B . Moreover, the results show that the Ni 3 d and O 2 p states have a strong p - d hybridization effect near the Fermi level and obtain a high stability. The above theoretical results demonstrate that Ni-doped zinc blende ZnO can be considered as a potential half-metal FM material and dilute magnetic semiconductors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Esterlis, I.; Nosarzewski, B.; Huang, E. W.

The superconducting (SC) and charge-density-wave (CDW) susceptibilities of the two-dimensional Holstein model are computed using determinant quantum Monte Carlo, and compared with results computed using the Migdal-Eliashberg (ME) approach. We access temperatures as low as 25 times less than the Fermi energy, E F, which are still above the SC transition. We find that the SC susceptibility at low T agrees quantitatively with the ME theory up to a dimensionless electron-phonon coupling λ 0 ≈ 0.4 but deviates dramatically for larger λ 0. We find that for large λ 0 and small phonon frequency ω 0 << E F CDWmore » ordering is favored and the preferred CDW ordering vector is uncorrelated with any obvious feature of the Fermi surface.« less

Unconventional Fermi surface associated with novel quasiparticles in the Kondo insulator SmB6

NASA Astrophysics Data System (ADS)

Sebastian, Suchitra

The search for a Fermi surface in the absence of a Fermi liquid has endured for decades. We present evidence for the realisation of such a state in the Kondo Insulator SmB6, which is an extreme example of Fermi liquid breakdown. Experimental results are presented from complementary techniques including quantum oscillations, specific heat capacity, thermal conductivity, and oscillatory entropy down to low temperatures. An experimental comparison is made with alternative theoretical models that associate novel quasiparticles with the unconventional Fermi surface we uncover in SmB6. A new paradigm for the realisation of a Fermi surface in the absence of conventional quasiparticles is proposed in the vicinity of a Kondo insulator transition. This work was performed in collaboration with M. Hartstein, W. H. Toews, Y.-T. Hsu, B. Zeng, X. Chen, M. Ciomaga Hatnean, Q. R. Zhang, S. Nakamura, A. S. Padgett, G. Rodway-Gant, J. Berk, M. K. Kingston, G. H. Zhang, M. K. Chan, S. Yamashita, T. Sakakibara, Y. Takano, J. -H. Park, L. Balicas, N. Harrison, N. Shitsevalova, G. Balakrishnan, G. G. Lonzarich, R. W. Hill, and M. Sutherland.

Many-body instabilities and mass generation in slow Dirac materials

NASA Astrophysics Data System (ADS)

Triola, Christopher; Zhu, Jianxin; Migliori, Albert; Balatsky, Alexander

2015-03-01

Some Kondo insulators are expected to possess topologically protected surface states with linear Dirac spectrum, the topological Kondo insulators. Because the bulk states of these systems typically have heavy effective electron masses, the surface states may exhibit extraordinarily small Fermi velocities that could force the effective fine structure constant of the surface states into the strong coupling regime. Using a tight-binding model we study the many-body instabilities of these systems and identify regions of parameter space for which antiferromagnetic, ferromagnetic and charge density wave instabilities occur. Work Supported by USDOE BES E304.

Ion-bombardment of nickel (110) at elevated temperature

NASA Astrophysics Data System (ADS)

Peddinti, Vijay Kumar

The goal of this thesis is to study the behavior of ion-induced defects at the Y point on the Ni (110) surface at elevated temperatures. The electronic structure of the surface is examined using inverse photoemission spectroscopy (IPES), and the geometric structure is observed using low energy electron diffraction (LEED). These measurements lead to a better understanding of the surface properties. The clean Ni (110) surface exhibits a peak ˜ 2.6 eV above the Fermi level, indicating an unoccupied surface state near the Y point of the surface Brillouin zone (SBZ). Defects are induced by low energy ion bombardment at various temperatures, which result in a decrease of the peak intensity. The surface state eventually disappears when bombarded for longer times. We also observed that the surface heals faster when the crystal is being simultaneously sputtered and annealed at higher versus lower temperature. Finally the data for annealing while sputtering versus annealing after sputtering does not seem to exhibit much difference.

Electronic structure of disordered CuPd alloys: A two-dimensional positron-annihilation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smedskjaer, L.C.; Benedek, R.; Siegel, R.W.

1987-11-23

Two-dimensional--angular-correlation experiments using posi- tron-annihilation spectroscopy were performed on a series of disordered Cu-rich CuPd-alloy single crystals. The results are compared with theoretical calculations based on the Korringa-Kohn-Rostoker coherent-potential approximation. Our experiments confirm the theoretically predicted flattening of the alloy Fermi surface near (110) with increasing Pd concentration. The momentum densities and the two-dimensional--angular-correlation spectra around zero momentum exhibit a characteristic signature of the electronic states near the valence-band edge in the alloy.

Report on Work Performed for Office of Naval Research.

DTIC Science & Technology

1979-10-31

3 Electron Transport in COW Statey ............................ 4 i.Many-Body Effects.F-rbhl ich.Mode, tDiscommensurations...apart from such considerations the non-linear I-V characteristics in the COW phase may be exploited for device applications. The strong dispersion of...exist flat portions of the Fermi surface (FS) which are sufficiently parallel12 ("nesting" criterion) to drive the COW instability. The superlattice

Atomic-Scale Visualization of Quasiparticle Interference on a Type-II Weyl Semimetal Surface.

PubMed

Zheng, Hao; Bian, Guang; Chang, Guoqing; Lu, Hong; Xu, Su-Yang; Wang, Guangqiang; Chang, Tay-Rong; Zhang, Songtian; Belopolski, Ilya; Alidoust, Nasser; Sanchez, Daniel S; Song, Fengqi; Jeng, Horng-Tay; Yao, Nan; Bansil, Arun; Jia, Shuang; Lin, Hsin; Hasan, M Zahid

2016-12-23

We combine quasiparticle interference simulation (theory) and atomic resolution scanning tunneling spectromicroscopy (experiment) to visualize the interference patterns on a type-II Weyl semimetal Mo_{x}W_{1-x}Te_{2} for the first time. Our simulation based on first-principles band topology theoretically reveals the surface electron scattering behavior. We identify the topological Fermi arc states and reveal the scattering properties of the surface states in Mo_{0.66}W_{0.34}Te_{2}. In addition, our result reveals an experimental signature of the topology via the interconnectivity of bulk and surface states, which is essential for understanding the unusual nature of this material.

Momentum-resolved hidden-order gap reveals symmetry breaking and origin of entropy loss in URu2Si2

NASA Astrophysics Data System (ADS)

Bareille, C.; Boariu, F. L.; Schwab, H.; Lejay, P.; Reinert, F.; Santander-Syro, A. F.

2014-07-01

Spontaneous symmetry breaking in physical systems leads to salient phenomena at all scales, from the Higgs mechanism and the emergence of the mass of the elementary particles, to superconductivity and magnetism in solids. The hidden-order state arising below 17.5 K in URu2Si2 is a puzzling example of one of such phase transitions: its associated broken symmetry and gap structure have remained longstanding riddles. Here we directly image how, across the hidden-order transition, the electronic structure of URu2Si2 abruptly reconstructs. We observe an energy gap of 7 meV opening over 70% of a large diamond-like heavy-fermion Fermi surface, resulting in the formation of four small Fermi petals, and a change in the electronic periodicity from body-centred tetragonal to simple tetragonal. Our results explain the large entropy loss in the hidden-order phase, and the similarity between this phase and the high-pressure antiferromagnetic phase found in quantum-oscillation experiments.

Evidence for carrier localization in the pseudogap state of cuprate superconductors from coherent quench experiments

PubMed Central

Madan, I.; Kurosawa, T.; Toda, Y.; Oda, M.; Mertelj, T.; Mihailovic, D.

2015-01-01

A ‘pseudogap' was introduced by Mott to describe a state of matter that has a minimum in the density of states at the Fermi level, deep enough for states to become localized. It can arise either from Coulomb repulsion between electrons, and/or incipient charge or spin order. Here we employ ultrafast spectroscopy to study dynamical properties of the normal to pseudogap state transition in the prototype high-temperature superconductor Bi2Sr2CaCu2O8+δ. We perform a systematic temperature and doping dependence study of the pseudogap photodestruction and recovery in coherent quench experiments, revealing marked absence of critical behaviour of the elementary excitations, which implies an absence of collective electronic ordering beyond a few coherence lengths on short timescales. The data imply ultrafast carrier localization into a textured polaronic state arising from a competing Coulomb interaction and lattice strain, enhanced by a Fermi surface instability. PMID:25891310

Beam energy spread in FERMI@elettra gun and linac induced by intrabeam scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zholents, Alexander A; Zholents, Alexander A; Zolotorev, Max S.

Intrabeam scattering (IBS) of electrons in the pre-cathode area in the electron guns know in the literature as Boersh effect is responsible for a growth of the electron beam energy spread there. Albeit most visible within the electron gun where the electron beam density is large and the energy spread is small, the IBS acts all along the entire electron beam pass through the Linac. In this report we calculate the energy spread induced by IBS in the FERMI@elettra electron gun.

Entanglement entropy and the Fermi surface.

PubMed

Swingle, Brian

2010-07-30

Free fermions with a finite Fermi surface are known to exhibit an anomalously large entanglement entropy. The leading contribution to the entanglement entropy of a region of linear size L in d spatial dimensions is S∼L(d-1)logL, a result that should be contrasted with the usual boundary law S∼L(d-1). This term depends only on the geometry of the Fermi surface and on the boundary of the region in question. I give an intuitive account of this anomalous scaling based on a low energy description of the Fermi surface as a collection of one-dimensional gapless modes. Using this picture, I predict a violation of the boundary law in a number of other strongly correlated systems.

Theoretical Study of tip apex electronic structure in Scanning Tunneling Microscope

NASA Astrophysics Data System (ADS)

Choi, Heesung; Huang, Min; Randall, John; Cho, Kyeongjae

2011-03-01

Scanning Tunneling Microscope (STM) has been widely used to explore diverse surface properties with an atomic resolution, and STM tip has played a critical role in controlling surface structures. However, detailed information of atomic and electronic structure of STM tip and the fundamental understanding of STM images are still incomplete. Therefore, it is important to develop a comprehensive understanding of the electronic structure of STM tip. We have studied the atomic and electronic structures of STM tip with various transition metals (TMs) by DFT method. The d-electrons of TM tip apex atoms show different orbital states near the Fermi level. We will present comprehensive data of STM tips from our DFT calculation. Verified quantification of the tip electronic structures will lead to fundamental understanding of STM tip structure-property relationship. This work is supported by the DARPA TBN Program and the Texas ETF. DARPA Tip Based Nanofabrication Program and the Emerging Technology Fund of the State of Texas.

The structural and electronic properties of metal atoms adsorbed on graphene

NASA Astrophysics Data System (ADS)

Liu, Wenjiang; Zhang, Cheng; Deng, Mingsen; Cai, Shaohong

2017-09-01

Based on density functional theory (DFT), we studied the structural and electronic properties of seven different metal atoms adsorbed on graphene (M + graphene). The geometries, adsorption energies, density of states (DOS), band structures, electronic dipole moment, magnetic moment and work function (WF) of M + graphene were calculated. The adsorption energies ΔE indicated that Li, Na, K, Ca and Fe adsorbed on graphene were tending to form stable structures. However, diffusion would occur on Cu and Ag adsorbed on graphene. In addition, the electronic structure near the Fermi level of graphene was significantly affected by Fe (Cu and Ag), compared with Li (Na, K and Ca). The electronic dipole moment and magnetic moment of M + graphene were sensitive to the adsorbed metal atoms. Moreover, we found electropositive (electronegative) adsorption can decrease (increase) the WF of the surface. Specially, the WF of Ag + graphene and Fe + graphene would increase because surface dipole moment make a contribution to electron.

Electronic transport in bismuth selenide in the topological insulator regime

NASA Astrophysics Data System (ADS)

Kim, Dohun

The 3D topological insulators (TIs) have an insulating bulk but spin-momentum coupled metallic surface states stemming from band inversion due to strong spin-orbit interaction, whose existence is guaranteed by the topology of the band structure of the insulator. While the STI surface state has been studied spectroscopically by e.g. photoemission and scanned probes, transport experiments have failed to demonstrate clear signature of the STI due to high level of bulk conduction. In this thesis, I present experimental results on the transport properties of TI material Bi2Se3 in the absence of bulk conduction (TI regime), achieved by applying novel p-type doping methods. Field effect transistors consisting of thin (thickness: 5-17 nm) Bi2Se3 are fabricated by mechanical exfoliation of single crystals, and a combination of conventional dielectric (300 nm thick SiO2) and electrochemical or chemical gating methods are used to move the Fermi energy through the surface Dirac point inside bulk band gap, revealing the ambipolar gapless nature of transport in the Bi2Se3 surface states. The minimum conductivity of the topological surface state is understood within the self-consistent theory of Dirac electrons in the presence of charged impurities. The intrinsic finite-temperature resistivity of the topological surface state due to electron-acoustic phonon scattering is measured to be 60 times larger than that of graphene largely due to the smaller Fermi and sound velocities in Bi2Se 3, which will have implications for topological electronic devices operating at room temperature. Along with semi-classical Boltzmann transport, I also discuss 2D weak anti-localization (WAL) behavior of the topological surface states. By investigating gate-tuned WAL behavior in thin (5-17 nm) TI films, I show that WAL in the TI regime is extraordinarily sensitive to the hybridization induced quantum mechanical tunneling between top and bottom topological surfaces, and interplay of phase coherence time and inter-surface tunneling time results in a crossover from two decoupled (top and bottom) symplectic 2D metal surfaces to a coherently coupled single channel. Furthermore, a complete suppression of WAL is observed in the 5 nm thick Bi2Se 3 film which was found to occur when the hybridization gap becomes comparable to the disorder strength.

Unified mechanism of the surface Fermi level pinning in III-As nanowires.

PubMed

Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Cirlin, George E; Reznik, Rodion R; Smirnov, Alexander N; Kirilenko, Demid A; Davydov, Valery Yu; Berkovits, Vladimir L

2018-08-03

Fermi level pinning at the oxidized (110) surfaces of III-As nanowires (GaAs, InAs, InGaAs, AlGaAs) is studied. Using scanning gradient Kelvin probe microscopy, we show that the Fermi level at oxidized cleavage surfaces of ternary Al x Ga 1-x As (0 ≤ x ≤ 0.45) and Ga x In 1-x As (0 ≤ x ≤ 1) alloys is pinned at the same position of 4.8 ± 0.1 eV with regard to the vacuum level. The finding implies a unified mechanism of the Fermi level pinning for such surfaces. Further investigation, performed by Raman scattering and photoluminescence spectroscopy, shows that photooxidation of the Al x Ga 1-x As and Ga x In 1-x As nanowires leads to the accumulation of an excess of arsenic on their crystal surfaces which is accompanied by a strong decrease of the band-edge photoluminescence intensity. We conclude that the surface excess arsenic in crystalline or amorphous forms is responsible for the Fermi level pinning at oxidized (110) surfaces of III-As nanowires.

Electronic band structure study of colossal magnetoresistance in Tl 2Mn 2O 7

NASA Astrophysics Data System (ADS)

Seo, D.-K.; Whangbo, M.-H.; Subramanian, M. A.

1997-02-01

The electronic structure of Tl 2Mn 2O 7 was examined by performing tight binding band calculations. The overlap between the Mn t 2g- and Tl 6 s-block bands results in a partial filling of the Tl 6 s-block bands. The associated Fermi surface consists of 12 cigar-shape electron pockets with each electron pocket about {1}/{1000} of the first Brillouin zone in size. The Tl 6 s-block bands have orbital contributions from the Mn atoms, and the carrier density is very low. These are important for the occurrence of a colossal magnetoresistance in Tl 2Mn 2O 7.

Study of certain features of the electronic structure of the ternary alloys Ni2(Mn, Fe) and Ni3(Mn, Co)

NASA Technical Reports Server (NTRS)

Zhukova, V. M.; Fadin, V. P.

1981-01-01

The changes in electronic structure related to transport processes occurring during the alloying of he alloy Ni3Mn with iron and cobalt, and the ordering of the ternary alloys thus formed are presented. The Hall effect, the absolute thermal emf, the internal saturation induction, the Nernst-Ettingshausen constant, and the electrical resistivity were measured. Results show a decrease in the contribution of hole sections of the Fermi surface to the transport process occurs together with a considerable increase in the contribution of electron sections. In this case, the mobility of 3 dimensional holes decreases and the mobility of 4s electrons increases considerably.

Scattering of surface electrons by isolated steps versus periodic step arrays

NASA Astrophysics Data System (ADS)

Ortega, J. E.; Lobo-Checa, J.; Peschel, G.; Schirone, S.; Abd El-Fattah, Z. M.; Matena, M.; Schiller, F.; Borghetti, P.; Gambardella, P.; Mugarza, A.

2013-03-01

We investigate the scattering of electrons belonging to Shockley states of (111)-oriented noble metal surfaces using angle-resolved photoemission (ARPES) and scanning tunneling microscopy (STM). Both ARPES and STM indicate that monatomic steps on a noble metal surface may act either as strongly repulsive or highly transmissive barriers for surface electrons, depending on the coherence of the step lattice, and irrespectively of the average step spacing. By measuring curved crystal surfaces with terrace length ranging from 30 to 180 Å, we show that vicinal surfaces of Au and Ag with periodic step arrays exhibit a remarkable wave function coherence beyond 100 Å step spacings, well beyond the Fermi wavelength limit and independently of the projection of the bulk band gap on the vicinal plane. In contrast, the analysis of transmission resonances investigated by STM shows that a pair of isolated parallel steps defining a 58 Å wide terrace confines and decouples the surface state of the small terrace from that of the (111) surface. We conclude that the formation of laterally confined quantum well states in vicinal surfaces as opposed to propagating superlattice states depends on the loss of coherence driven by imperfection in the superlattice order.

Correlation of Device Performance and Fermi Level Shift in the Emitting Layer of Organic Light-Emitting Diodes with Amine-Based Electron Injection Layers.

PubMed

Stolz, Sebastian; Lemmer, Uli; Hernandez-Sosa, Gerardo; Mankel, Eric

2018-03-14

We investigate three amine-based polymers, polyethylenimine and two amino-functionalized polyfluorenes, as electron injection layers (EILs) in organic light-emitting diodes (OLEDs) and find correlations between the molecular structure of the polymers, the electronic alignment at the emitter/EIL interface, and the resulting device performance. X-ray photoelectron spectroscopy measurements of the emitter/EIL interface indicate that all three EIL polymers induce an upward shift of the Fermi level in the emitting layer close to the interface similar to n-type doping. The absolute value of this Fermi level shift, which can be explained by an electron transfer from the EIL polymers into the emitting layer, correlates with the number of nitrogen-containing groups in the side chains of the polymers. Whereas polyethylenimine (PEI) and one of the investigated polyfluorenes (PFCON-C) have six such groups per monomer unit, the second investigated polyfluorene (PFN) only possesses two. Consequently, we measure Fermi level shifts of 0.5-0.7 eV for PEI and PFCON-C and only 0.2 eV for PFN. As a result of these Fermi level shifts, the energetic barrier for electron injection is significantly lowered and OLEDs which comprise PEI or PFCON-C as an EIL exhibit a more than twofold higher luminous efficacy than OLEDs with PFN.

Extracting the temperature of hot carriers in time- and angle-resolved photoemission.

PubMed

Ulstrup, Søren; Johannsen, Jens Christian; Grioni, Marco; Hofmann, Philip

2014-01-01

The interaction of light with a material's electronic system creates an out-of-equilibrium (non-thermal) distribution of optically excited electrons. Non-equilibrium dynamics relaxes this distribution on an ultrafast timescale to a hot Fermi-Dirac distribution with a well-defined temperature. The advent of time- and angle-resolved photoemission spectroscopy (TR-ARPES) experiments has made it possible to track the decay of the temperature of the excited hot electrons in selected states in the Brillouin zone, and to reveal their cooling in unprecedented detail in a variety of emerging materials. It is, however, not a straightforward task to determine the temperature with high accuracy. This is mainly attributable to an a priori unknown position of the Fermi level and the fact that the shape of the Fermi edge can be severely perturbed when the state in question is crossing the Fermi energy. Here, we introduce a method that circumvents these difficulties and accurately extracts both the temperature and the position of the Fermi level for a hot carrier distribution by tracking the occupation statistics of the carriers measured in a TR-ARPES experiment.

Comparison of electronic structure between monolayer silicenes on Ag (111)

NASA Astrophysics Data System (ADS)

Chun-Liang, Lin; Ryuichi, Arafune; Maki, Kawai; Noriaki, Takagi

2015-08-01

The electronic structures of monolayer silicenes (4 × 4 and ) grown on Ag (111) surface are studied by scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations. While both phases have similar electronic structures around the Fermi level, significant differences are observed in the higher energy unoccupied states. The DFT calculations show that the contributions of Si 3pz orbitals to the unoccupied states are different because of their different buckled configurations. Project supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) through Grants-in-Aid for Scientific Research (Grant Nos. 24241040 and 25110008) and the World Premier International Research Center Initiative (WPI), MEXT, Japan.

Quasiparticle scattering in type-II Weyl semimetal MoTe2

NASA Astrophysics Data System (ADS)

Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki

2018-03-01

The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe2) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to further understanding of the topological electronic structure of type-II Weyl semimetal MoTe2.

Quasiparticle scattering in type-II Weyl semimetal MoTe2.

PubMed

Lin, Chun-Liang; Arafune, Ryuichi; Minamitani, Emi; Kawai, Maki; Takagi, Noriaki

2018-02-15

The electronic structure of type-II Weyl semimetal molybdenum ditelluride (MoTe 2 ) is studied by using scanning tunneling microscopy and density functional theory calculations. Through measuring energy-dependent quasiparticle interference (QPI) patterns with a cryogenic scanning tunneling microscope, several characteristic features are found in the QPI patterns. Two of them arise from the Weyl semimetal nature; one is the topological Fermi arc surface state and the other can be assigned to be a Weyl point. The remaining structures are derived from the scatterings relevant to the bulk electronic states. The findings lead to further understanding of the topological electronic structure of type-II Weyl semimetal MoTe 2 .

Ultrafast surface carrier dynamics in the topological insulator Bi₂Te₃.

PubMed

Hajlaoui, M; Papalazarou, E; Mauchain, J; Lantz, G; Moisan, N; Boschetto, D; Jiang, Z; Miotkowski, I; Chen, Y P; Taleb-Ibrahimi, A; Perfetti, L; Marsi, M

2012-07-11

We discuss the ultrafast evolution of the surface electronic structure of the topological insulator Bi(2)Te(3) following a femtosecond laser excitation. Using time and angle-resolved photoelectron spectroscopy, we provide a direct real-time visualization of the transient carrier population of both the surface states and the bulk conduction band. We find that the thermalization of the surface states is initially determined by interband scattering from the bulk conduction band, lasting for about 0.5 ps; subsequently, few picoseconds are necessary for the Dirac cone nonequilibrium electrons to recover a Fermi-Dirac distribution, while their relaxation extends over more than 10 ps. The surface sensitivity of our measurements makes it possible to estimate the range of the bulk-surface interband scattering channel, indicating that the process is effective over a distance of 5 nm or less. This establishes a correlation between the nanoscale thickness of the bulk charge reservoir and the evolution of the ultrafast carrier dynamics in the surface Dirac cone.

Generalized charge-screening in relativistic Thomas–Fermi model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akbari-Moghanjoughi, M.

In this paper, we study the charge shielding within the relativistic Thomas-Fermi model for a wide range of electron number-densities and the atomic-number of screened ions. A generalized energy-density relation is obtained using the force-balance equation and taking into account the Chandrasekhar's relativistic electron degeneracy pressure. By numerically solving a second-order nonlinear differential equation, the Thomas-Fermi screening length is investigated, and the results are compared for three distinct regimes of the solid-density, warm-dense-matter, and white-dwarfs (WDs). It is revealed that our nonlinear screening theory is compatible with the exponentially decaying Thomas-Fermi-type shielding predicted by the linear response theory. Moreover, themore » variation of relative Thomas-Fermi screening length shows that extremely dense quantum electron fluids are relatively poor charge shielders. Calculation of the total number of screening electrons around a nucleus shows that there is a position of maximum number of screening localized electrons around the screened nucleus, which moves closer to the point-like nucleus by increase in the plasma number density but is unaffected due to increase in the atomic-number value. It is discovered that the total number of screening electrons, (N{sub s}∝r{sub TF}{sup 3}/r{sub d}{sup 3} where r{sub TF} and r{sub d} are the Thomas-Fermi and interparticle distance, respectively) has a distinct limit for extremely dense plasmas such as WD-cores and neutron star crusts, which is unique for all given values of the atomic-number. This is equal to saying that in an ultrarelativistic degeneracy limit of electron-ion plasma, the screening length couples with the system dimensionality and the plasma becomes spherically self-similar. Current analysis can provide useful information on the effects of relativistic correction to the charge screening for a wide range of plasma density, such as the inertial-confined plasmas and compact stellar objects.« less

Correlation Effects and Hidden Spin-Orbit Entangled Electronic Order in Parent and Electron-Doped Iridates Sr2 IrO4

NASA Astrophysics Data System (ADS)

Zhou, Sen; Jiang, Kun; Chen, Hua; Wang, Ziqiang

2017-10-01

Analogs of the high-Tc cuprates have been long sought after in transition metal oxides. Because of the strong spin-orbit coupling, the 5 d perovskite iridates Sr2 IrO4 exhibit a low-energy electronic structure remarkably similar to the cuprates. Whether a superconducting state exists as in the cuprates requires understanding the correlated spin-orbit entangled electronic states. Recent experiments discovered hidden order in the parent and electron-doped iridates, some with striking analogies to the cuprates, including Fermi surface pockets, Fermi arcs, and pseudogap. Here, we study the correlation and disorder effects in a five-orbital model derived from the band theory. We find that the experimental observations are consistent with a d -wave spin-orbit density wave order that breaks the symmetry of a joint twofold spin-orbital rotation followed by a lattice translation. There is a Berry phase and a plaquette spin flux due to spin procession as electrons hop between Ir atoms, akin to the intersite spin-orbit coupling in quantum spin Hall insulators. The associated staggered circulating Jeff=1 /2 spin current can be probed by advanced techniques of spin-current detection in spintronics. This electronic order can emerge spontaneously from the intersite Coulomb interactions between the spatially extended iridium 5 d orbitals, turning the metallic state into an electron-doped quasi-2D Dirac semimetal with important implications on the possible superconducting state suggested by recent experiments.

Quasiparticle interference of surface states in the type-II Weyl semimetal WTe2

NASA Astrophysics Data System (ADS)

Zhang, Wenhan; Wu, Quansheng; Zhang, Lunyong; Cheong, Sang-Wook; Soluyanov, Alexey A.; Wu, Weida

2017-10-01

A topological Weyl semimetal (TWS) is a metal where low-energy excitations behave like Weyl fermions of high-energy physics. Recently, it was shown that, due to the lower symmetry of condensed-matter systems, they can realize two distinct types of Weyl fermions. The type-I Weyl fermion in a metal is formed by a linear crossing of two bands at a point in the crystalline momentum space—Brillouin zone. The second type of TWSs host type-II Weyl points appearing at the touching points of electron and hole pockets, which is a result of tilted linear dispersion. The type-II TWS was predicted to exist in several compounds, including WTe2. Several angle-resolved photoemission spectroscopy studies of WTe2 were reported so far, having contradictory conclusions on the topological nature of observed Fermi arcs. In this paper, we report the results of spectroscopic imaging with a scanning tunneling microscope and first-principles calculations, establishing clear quasiparticle interference features of the surface states of WTe2. Our paper provides strong evidence for surface-state scattering. Although the surface Fermi arcs clearly are observed, it is still difficult to prove the existence of predicted type-II Weyl points in the bulk.

Evidence against a charge density wave on Bi(111)

DOE PAGES

Kim, T. K.; Wells, J.; Kirkegaard, C.; ...

2005-08-18

The Bi(111) surface was studied by scanning tunneling microscopy (STM), transmission electron microscopy (TEM) and angle-resolved photoemission (ARPES) in order to verify the existence of a recently proposed surface charge density wave (CDW). The STM and TEM results to not support a CDW scenario at low temperatures. Thus the quasiparticle interference pattern observed in STM confirms the spin-orbit split character of the surface states which prevents the formation of a CDW, even in the case of good nesting. The dispersion of the electronic states observed with ARPES agrees well with earlier findings. In particular, the Fermi contour of the electronmore » pocket at the centre of the surface Brillouin zone is found to have a hexagonal shape. However, no gap opening or other signatures of a CDW phase transition can be found in the temperature-dependent data.« less

Strongly Enhanced THz Emission caused by Localized Surface Charges in Semiconducting Germanium Nanowires

PubMed Central

Lee, Woo-Jung; Ma, Jin Won; Bae, Jung Min; Jeong, Kwang-Sik; Cho, Mann-Ho; Kang, Chul; Wi, Jung-Sub

2013-01-01

A principal cause of THz emission in semiconductor nanostructures is deeply involved with geometry, which stimulates the utilization of indirect bandgap semiconductors for THz applications. To date, applications for optoelectronic devices, such as emitters and detectors, using THz radiation have focused only on direct bandgap materials. This paper reports the first observation of strongly enhanced THz emission from Germanium nanowires (Ge NWs). The origin of THz generation from Ge NWs can be interpreted using two terms: high photoexcited electron-hole carriers (Δn) and strong built-in electric field (Eb) at the wire surface based on the relation . The first is related to the extensive surface area needed to trigger an irradiated photon due to high aspect ratio. The second corresponds to the variation of Fermi-level determined by confined surface charges. Moreover, the carrier dynamics of optically excited electrons and holes give rise to phonon emission according to the THz region. PMID:23760467

Quasiparticle energy bands and Fermi surfaces of monolayer NbSe2

NASA Astrophysics Data System (ADS)

Kim, Sejoong; Son, Young-Woo

2017-10-01

A quasiparticle band structure of a single layer 2 H -NbSe2 is reported by using first-principles G W calculation. We show that a self-energy correction increases the width of a partially occupied band and alters its Fermi surface shape when comparing those using conventional mean-field calculation methods. Owing to a broken inversion symmetry in the trigonal prismatic single layer structure, the spin-orbit interaction is included and its impact on the Fermi surface and quasiparticle energy bands are discussed. We also calculate the doping dependent static susceptibilities from the band structures obtained by the mean-field calculation as well as G W calculation with and without spin-orbit interactions. A complete tight-binding model is constructed within the three-band third nearest neighbor hoppings and is shown to reproduce our G W quasiparticle energy bands and Fermi surface very well. Considering variations of the Fermi surface shapes depending on self-energy corrections and spin-orbit interactions, we discuss the formations of charge density wave (CDW) with different dielectric environments and their implications on recent controversial experimental results on CDW transition temperatures.

Decreased Charge Transport Barrier and Recombination of Organic Solar Cells by Constructing Interfacial Nanojunction with Annealing-Free ZnO and Al Layers.

PubMed

Liu, Chunyu; Zhang, Dezhong; Li, Zhiqi; Zhang, Xinyuan; Guo, Wenbin; Zhang, Liu; Ruan, Shengping; Long, Yongbing

2017-07-05

To overcome drawbacks of the electron transport layer, such as complex surface defects and unmatched energy levels, we successfully employed a smart semiconductor-metal interfacial nanojunciton in organic solar cells by evaporating an ultrathin Al interlayer onto annealing-free ZnO electron transport layer, resulting in a high fill factor of 73.68% and power conversion efficiency of 9.81%. The construction of ZnO-Al nanojunction could effectively fill the surface defects of ZnO and reduce its work function because of the electron transfer from Al to ZnO by Fermi level equilibrium. The filling of surface defects decreased the interfacial carrier recombination in midgap trap states. The reduced surface work function of ZnO-Al remodulated the interfacial characteristics between ZnO and [6,6]-phenyl C71-butyric acid methyl ester (PC 71 BM), decreasing or even eliminating the interfacial barrier against the electron transport, which is beneficial to improve the electron extraction capacity. The filled surface defects and reduced interfacial barrier were realistically observed by photoluminescence measurements of ZnO film and the performance of electron injection devices, respectively. This work provides a simple and effective method to simultaneously solve the problems of surface defects and unmatched energy level for the annealing-free ZnO or other metal oxide semiconductors, paving a way for the future popularization in photovoltaic devices.

Lateral Charge Transport in Silicon Nanomembranes

NASA Astrophysics Data System (ADS)

Hu, Weiwei

Silicon nanomembranes, also called SiNMs, Si thin sheets or films, are a great platform to study surface sciences, since the bulk is diminished and the surface-to-volume ratio is large. In a single crystalline material, atoms on the surface experience different forces, electric fields, thermodynamic surroundings, etc., than those within the bulk. Therefore, unique structural, mechanical, electronic, optical, and many other properties associated with surfaces overweigh bulk effects; novel phenomena emerge. In particular, electronic features of Si are of significance due to the extensive use of Si in integrated circuit devices and biochemical sensor technologies. As a result, especially with the size of transistors quickly decreasing nowadays, the exploration of electronic characteristics of Si surfaces become much more significant. This is also interesting as a topic within the area of fundamental surface science. Silicon-on-insulator (SOI) provides a new structure for studying charge transport in the SiNM, which is monocrystalline and sits on top of the SOI wafer. I use SOI based SiNMs with two surface orientations: Si (001) and Si (111). The former is pervasive in industrial applications while the latter has interesting metallic surface states when 7x7 reconstruction occurs on a clean surface. My goal is to measure/infer the sheet conductance in the true surface layer with different surface situations, and to further investigate the surface band structure and how carriers distribute and move accordingly. The biggest challenge is to eliminate interferences, e.g., bulk effects. The following are two solutions. 1) The thickness of the used SiNMs spans 40 nm to 500 nm, with a nominal doping level of 1015 cm -3 in our experiment. A straightforward calculation of areal dopant density indicates that charge carriers from the extrinsic doping are 1˜2 orders of magnitude fewer than the trap states at the interface between the buried oxide in SOI and the top SiNM, meaning that moderate doping is irrelevant and the SiNM acts like an intrinsic one. 2) The back gate that is applied to the measured sample is an innovative design among myriad analogous studies. It enables the tuning of the Fermi level (EF) throughout the SiNMs and makes it possible for a membrane to reach its most depleted status, thus efficiently removing the bulk conduction path. The four-probe van der Pauw measurements of film conductance are taken inside an ultrahigh vacuum chamber, where the surface condition remains stable and controllable. On Si (111) 7x7 surfaces, we find from the independence of conductance on membrane thickness that we are measuring the surface transport only. The sheet conductance is high, as it is on the microS/□scale, which supports the 7x7 surface having metallicity in lateral charge transport, a point which has been debated extensively. Nevertheless, weak semiconductor behavior is still present. For hydrogenated Si (001), which is obtained after hydrogen fluoric acid (HF) treatment, surface Fermi level is found around mid-bandgap based on temperature dependent measurements. No surface Fermi level pinning to closely below the conduction band minimum exists in my HF treated Si (001) NMs.

Contactless electroreflectance study of the Fermi level pinning on GaSb surface in n-type and p-type GaSb Van Hoof structures

NASA Astrophysics Data System (ADS)

Kudrawiec, R.; Nair, H. P.; Latkowska, M.; Misiewicz, J.; Bank, S. R.; Walukiewicz, W.

2012-12-01

Contactless electroreflectance (CER) has been applied to study the Fermi-level position on GaSb surface in n-type and p-type GaSb Van Hoof structures. CER resonances, followed by strong Franz-Keldysh oscillation of various periods, were clearly observed for two series of structures. This period was much wider (i.e., the built-in electric field was much larger) for n-type structures, indicating that the GaSb surface Fermi level pinning position is closer to the valence-band than the conduction-band. From analysis of the built-in electric fields in undoped GaSb layers, it was concluded that on GaSb surface the Fermi-level is located ˜0.2 eV above the valence band.

Valley spin polarization of Tl/Si(111)

NASA Astrophysics Data System (ADS)

Stolwijk, Sebastian D.; Schmidt, Anke B.; Sakamoto, Kazuyuki; Krüger, Peter; Donath, Markus

2017-11-01

The metal/semiconductor hybrid system Tl/Si(111)-(1 ×1 ) exhibits a unique Tl-derived surface state with remarkable properties. It lies within the silicon band gap and forms spin-momentum-locked valleys close to the Fermi energy at the K ¯ and K¯' points. These valleys are completely spin polarized with opposite spin orientation at K ¯ and K¯' and show a giant spin splitting of more than 0.5 eV. We present a detailed preparation study of the surface system and demonstrate that the electronic valleys are extremely robust, surviving exposure to 100 L hydrogen and 500 L oxygen. We investigate the influence of additional Tl atoms on the spin-polarized valleys. By combining photoemission and inverse photoemission, we prove the existence of fully spin-polarized valleys crossing the Fermi level. Moreover, these metallic valleys carry opposite Berry curvature at K ¯ and K¯', very similar to WSe2, promising a large spin Hall effect. Thus, Tl/Si(111)-(1 ×1 ) possesses all necessary key properties for spintronic applications.

Signature of type-II Weyl semimetal phase in MoTe 2

DOE PAGES

Jiang, J.; Liu, Z. K.; Sun, Y.; ...

2017-01-13

Topological Weyl semimetal (TWS), a new state of quantum matter, has sparked enormous research interest recently. Possessing unique Weyl fermions in the bulk and Fermi arcs on the surface, TWSs offer a rare platform for realizing many exotic physical phenomena. TWSs can be classified into type-I that respect Lorentz symmetry and type-II that do not. Here, we directly visualize the electronic structure of MoTe 2, a recently proposed type-II TWS. Using angle-resolved photoemission spectroscopy (ARPES), we unravel the unique surface Fermi arcs, in good agreement with our ab initio calculations that have nontrivial topological nature. Our work not only leadsmore » to new understandings of the unusual properties discovered in this family of compounds, but also allows for the further exploration of exotic properties and practical applications of type-II TWSs, as well as the interplay between superconductivity (MoTe 2 was discovered to be superconducting recently) and their topological order.« less

Origin of the pressure-dependent Tc valley in superconducting simple cubic phosphorus

NASA Astrophysics Data System (ADS)

Wu, Xianxin; Jeschke, Harald O.; Di Sante, Domenico; von Rohr, Fabian O.; Cava, Robert J.; Thomale, Ronny

2018-03-01

Motivated by recent experiments, we investigate the pressure-dependent electronic structure and electron-phonon (e-ph) coupling for simple cubic phosphorus by performing first-principles calculations within the full potential linearized augmented plane-wave method. As a function of increasing pressure, our calculations show a valley feature in Tc, followed by an eventual decrease for higher pressures. We demonstrate that this Tc valley at low pressures is due to two nearby Lifshitz transitions, as we analyze the band-resolved contributions to the e-ph coupling. Below the first Lifshitz transition, the phonon hardening and shrinking of the γ Fermi surface with s -orbital character results in a decreased Tc with increasing pressure. After the second Lifshitz transition, the appearance of δ Fermi surfaces with 3 d -orbital character generate strong e-ph interband couplings in α δ and β δ channels, and hence lead to an increase of Tc. For higher pressures, the phonon hardening finally dominates, and Tc decreases again. Our study reveals that the intriguing Tc valley discovered in experiment can be attributed to Lifshitz transitions, while the plateau of Tc detected at intermediate pressures appears to be beyond the scope of our analysis. This strongly suggests that aside from e-ph coupling, electronic correlations along with plasmonic contributions may be relevant for simple cubic phosphorus. Our findings hint at the notion that increasing pressure can shift the low-energy orbital weight towards d character, and as such even trigger an enhanced importance of orbital-selective electronic correlations despite an increase of the overall bandwidth.

a Study on SODIUM(110) and Other Nearly Free Electron Metals Using Angle Resolved Photoemission Spectroscopy.

NASA Astrophysics Data System (ADS)

Lyo, In-Whan

Electronic properties of the epitaxially grown Na(110) film have been studied using angle resolved ultraviolet photoemission spectroscopy with synchrotron radiation as the light source. Na provides an ideal ground to study the fundamental aspects of the electron-electron interactions in metals, because of its simple Fermi surface and small pseudopotential. The absolute band structure of Na(110) using angle resolved photoemission spectroscopy has been mapped out using the extrema searching method. The advantage of this approach is that the usual assumption of the unoccupied state dispersion is not required. We have found that the dispersion of Na(1l0) is very close to the parabolic band with the effective mass 1.21 M_{rm e} at 90 K. Self-consistent calculations of the self-energy for the homogeneous electron gas have been performed using the Green's function technique within the framework of the GW approximation, in the hope of understanding the narrowing mechanism of the bandwidth observed for all the nearly-free-electron (NFE) metals. Good agreements between the experimental data and our calculated self-energy were obtained not only for our data on k-dependency from Na(l10), but also for the total bandwidth corrections for other NFE metals, only if dielectric functions beyond the random phase approximation were used. Our findings emphasize the importance of the screening by long wavelength plasmons. Off-normal spectra of angle resolved photoemission from Na(110) show strong asymmetry of the bulk peak intensity for the wide range of photon energies. Using a simple analysis, we show this asymmetry has an origin in the interference of the surface Umklapp electrons with the normal electrons. We have also performed the detailed experimental studies of the anomalous Fermi level structure observed in the forbidden gap region of Na. This was claimed by A. W. Overhauser as the evidence of the charge density wave in the alkali metal. The possibility of this hypothesis is critically discussed against other explanations.

Unconventional superconductivity in magic-angle graphene superlattices

NASA Astrophysics Data System (ADS)

Cao, Yuan; Fatemi, Valla; Fang, Shiang; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Jarillo-Herrero, Pablo

2018-04-01

The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity—which cannot be explained by weak electron–phonon interactions—in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°—the first ‘magic’ angle—the electronic band structure of this ‘twisted bilayer graphene’ exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature–carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 1011 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.

Iron pages of HTSC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gasparov, V. A., E-mail: vgasparo@issp.ac.r

Experimental data are presented on the superconducting and electronic properties of iron-based high-temperature superconductors in the normal and superconducting states. The following topics are discussed: lattice structure; structure of magnetic vortices; magnetic penetration depth; Fermi surface; isotope effect; and critical magnetic fields both in oxide compounds of 1111 type and oxide-free compounds of 122, 111, and 011 types as a function of the doping level, temperature, and external pressure.

Kondo Effect in Dirac Systems

NASA Astrophysics Data System (ADS)

Yanagisawa, Takashi

2015-07-01

We investigate the Kondo effect in Dirac systems, where Dirac electrons interact with the localized spin via the s-d exchange coupling. The Dirac electron in solid state has the linear dispersion and is described typically by the Hamiltonian such as Hk = vk · σ for the wave number k where σj are Pauli matrices. We derived the formula of the Kondo temperature TK by means of the Green's function theory for small J. The TK is determined from a singularity of Green's functions in the form TK ≃ bar{D}exp ( - const./ρ |J|) when the exchange coupling |J| is small where bar{D} = D/√{1 + D2/(2μ )2} for a cutoff D and ρ is the density of states at the Fermi surface. When |μ| ≪ D, TK is proportional to |μ|: TK ≃ |μ| exp(-const./ρ|J|). The Kondo screening will, however, disappear when the Fermi surface shrinks to a point called the Dirac point, that is, TK vanishes when the chemical potential μ is just at the Dirac point. The resistivity and the specific heat exhibit a log-T singularity in the range TK < T ≪ |μ|/kB. Instead, for T ˜ O(|μ|) or T > |μ|, they never show log-T.

Electronic properties of Cr-N codoped rutile TiO2(110) thin films

NASA Astrophysics Data System (ADS)

Cheng, Zhengwang; Zhang, Lili; Dong, Shihui; Ma, Xiaochuan; Ju, Huanxin; Zhu, Junfa; Cui, Xuefeng; Zhao, Jin; Wang, Bing

2017-12-01

We report our investigation on the electronic properties of Cr-N codoped rutile TiO2(110) single crystal thin films, homoepitaxially grown by pulsed-laser-deposition method, and characterized using scanning tunneling microscopy and spectroscopy (STM/STS), X-ray/ultraviolet photoemission spectroscopy (XPS/UPS), in combination with first-principles calculations. Our results show that the bandgap reduction of the TiO2(110) surface is mainly contributed by the delocalized states whose position is at 2.0 eV below the Fermi level, introduced by the substitutional codoped Cr-2N pair, which is evidenced by the accordance of the results between the STS spectra and the calculated DOS. The codoped Cr-N pair contributes the gap state at about 0.8 eV below the Fermi level, in consistent with the theoretical calculations. While, the monodoped Cr contributes the states either close to the valence band maximum or the conduction band minimum, which should not contribute to the bandgap reduction too much. Our experimental results joint with theoretical calculations provide an atomic view of the bandgap reduction of the rutile TiO2(110) surface, which indicates that the excess substitutional N atoms should be important to efficiently narrow the bandgap by introducing the Cr-2N pairs.

Electronegativity-dependent tin etching from thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pachecka, M., E-mail: m.pachecka@utwente.nl; Sturm, J. M.; Kruijs, R. W. E. van de

2016-07-15

The influence of a thin film substrate material on the etching of a thin layer of deposited tin (Sn) by hydrogen radicals was studied. The amount of remaining Sn was quantified for materials that cover a range of electronegativities. We show that, for metals, etching depends on the relative electronegativity of the surface material and Sn. Tin is chemically etched from surfaces with an electronegativity smaller than Sn, while incomplete Sn etching is observed for materials with an electronegativity larger than Sn. Furthermore, the amount of remaining Sn increases as the electronegativity of the surface material increases. We speculate, that,more » due to Fermi level differences in the material’s electronic structure, the energy of the two conduction bands shift such that the availability of electrons for binding with hydrogen is significantly reduced.« less

Distinct evolutions of Weyl fermion quasiparticles and Fermi arcs with bulk band topology in Weyl semimetals

NASA Astrophysics Data System (ADS)

Xu, Nan; Autes, Gabriel; Matt, Christian; Lv, Baiqing; Bisti, Federico; Strocov, Vladimir; Gawryluk, Dariusz; Pomjakushina, Ekaterina; Conder, Kazimierz; Plumb, Nicholas; Radovic, Milan; Qian, Tian; Yazyev, Oleg; Mesot, Joel; Ding, Hong; Shi, Ming

By performing ARPES and first-principle calculations, we demonstrate that Weyl fermions quasiparticles in bulk and Fermi arc on surface show distinct evolutions with the bulk band topology in transition-metal monophosphides. While Weyl fermion quasiparticles exist only when the chemical potential is located between two saddle points of the Weyl cone features, the Fermi arc states extend in a larger energy scale and are robust across the bulk Lifshitz transitions associated with the recombination of two non-trivial Fermi surfaces enclosing one Weyl point into a single trivial Fermi surface enclosing two Weyl points of opposite chirality. Therefore, in some systems (NbP), Fermi arc states are preserved even if Weyl fermion quasiparticles are absent in the bulk. Our findings not only provide insight into the relationship between the exotic physical phenomena and the intrinsic bulk band topology in Weyl semimetals, but also resolve the apparent puzzle of the different magneto-transport properties observed in TaAs, TaP and NbP, where the Fermi arc states are similar. The Sino-Swiss Science and Technology Cooperation (No. IZLCZ2138954), NCCR-MARVEL funded by the Swiss National Science Foundation.

Persistent order due to transiently enhanced nesting in an electronically excited charge density wave

DOE PAGES

Rettig, L.; Cortés, R.; Chu, J. -H.; ...

2016-01-25

Non-equilibrium conditions may lead to novel properties of materials with broken symmetry ground states not accessible in equilibrium as vividly demonstrated by non-linearly driven mid-infrared active phonon excitation. Potential energy surfaces of electronically excited states also allow to direct nuclear motion, but relaxation of the excess energy typically excites fluctuations leading to a reduced or even vanishing order parameter as characterized by an electronic energy gap. Here, using femtosecond time-and angle-resolved photoemission spectroscopy, we demonstrate a tendency towards transient stabilization of a charge density wave after near-infrared excitation, counteracting the suppression of order in the non-equilibrium state. Analysis of themore » dynamic electronic structure reveals a remaining energy gap in a highly excited transient state. In conclusion, our observation can be explained by a competition between fluctuations in the electronically excited state, which tend to reduce order, and transiently enhanced Fermi surface nesting stabilizing the order.« less

Superconducting parity effect across the Anderson limit

PubMed Central

Vlaic, Sergio; Pons, Stéphane; Zhang, Tianzhen; Assouline, Alexandre; Zimmers, Alexandre; David, Christophe; Rodary, Guillemin; Girard, Jean-Christophe; Roditchev, Dimitri; Aubin, Hervé

2017-01-01

How small can superconductors be? For isolated nanoparticles subject to quantum size effects, P.W. Anderson in 1959 conjectured that superconductivity could only exist when the electronic level spacing δ is smaller than the superconducting gap energy Δ. Here we report a scanning tunnelling spectroscopy study of superconducting lead (Pb) nanocrystals grown on the (110) surface of InAs. We find that for nanocrystals of lateral size smaller than the Fermi wavelength of the 2D electron gas at the surface of InAs, the electronic transmission of the interface is weak; this leads to Coulomb blockade and enables the extraction of electron addition energy of the nanocrystals. For large nanocrystals, the addition energy displays superconducting parity effect, a direct consequence of Cooper pairing. Studying this parity effect as a function of nanocrystal volume, we find the suppression of Cooper pairing when the mean electronic level spacing overcomes the superconducting gap energy, thus demonstrating unambiguously the validity of the Anderson criterion. PMID:28240294

Ultrafast strong-field photoelectron emission from biased metal surfaces: exact solution to time-dependent Schrödinger Equation

PubMed Central

Zhang, Peng; Lau, Y. Y.

2016-01-01

Laser-driven ultrafast electron emission offers the possibility of manipulation and control of coherent electron motion in ultrashort spatiotemporal scales. Here, an analytical solution is constructed for the highly nonlinear electron emission from a dc biased metal surface illuminated by a single frequency laser, by solving the time-dependent Schrödinger equation exactly. The solution is valid for arbitrary combinations of dc electric field, laser electric field, laser frequency, metal work function and Fermi level. Various emission mechanisms, such as multiphoton absorption or emission, optical or dc field emission, are all included in this single formulation. The transition between different emission processes is analyzed in detail. The time-dependent emission current reveals that intense current modulation may be possible even with a low intensity laser, by merely increasing the applied dc bias. The results provide insights into the electron pulse generation and manipulation for many novel applications based on ultrafast laser-induced electron emission. PMID:26818710

Localization of massless Dirac particles via spatial modulations of the Fermi velocity

NASA Astrophysics Data System (ADS)

Downing, C. A.; Portnoi, M. E.

2017-08-01

The electrons found in Dirac materials are notorious for being difficult to manipulate due to the Klein phenomenon and absence of backscattering. Here we investigate how spatial modulations of the Fermi velocity in two-dimensional Dirac materials can give rise to localization effects, with either full (zero-dimensional) confinement or partial (one-dimensional) confinement possible depending on the geometry of the velocity modulation. We present several exactly solvable models illustrating the nature of the bound states which arise, revealing how the gradient of the Fermi velocity is crucial for determining fundamental properties of the bound states such as the zero-point energy. We discuss the implications for guiding electronic waves in few-mode waveguides formed by Fermi velocity modulation.

Optical Asymmetry and Nonlinear Light Scattering from Colloidal Gold Nanorods.

PubMed

Lien, Miao-Bin; Kim, Ji-Young; Han, Myung-Geun; Chang, You-Chia; Chang, Yu-Chung; Ferguson, Heather J; Zhu, Yimei; Herzing, Andrew A; Schotland, John C; Kotov, Nicholas A; Norris, Theodore B

2017-06-27

A systematic study is presented of the intensity-dependent nonlinear light scattering spectra of gold nanorods under resonant excitation of the longitudinal surface plasmon resonance (SPR). The spectra exhibit features due to coherent second and third harmonic generation as well as a broadband feature that has been previously attributed to multiphoton photoluminescence arising primarily from interband optical transitions in the gold. A detailed study of the spectral dependence of the scaling of the scattered light with excitation intensity shows unexpected scaling behavior of the coherent signals, which is quantitatively accounted for by optically induced damping of the SPR mode through a Fermi liquid model of the electronic scattering. The broadband feature is shown to arise not from luminescence, but from scattering of the second-order longitudinal SPR mode with the electron gas, where efficient excitation of the second order mode arises from an optical asymmetry of the nanorod. The electronic-temperature-dependent plasmon damping and the Fermi-Dirac distribution together determine the intensity dependence of the broadband emission, and the structure-dependent absorption spectrum determines the spectral shape through the fluctuation-dissipation theorem. Hence a complete self-consistent picture of both coherent and incoherent light scattering is obtained with a single set of physical parameters.

Direct observation of how the heavy-fermion state develops in CeCoIn5

NASA Astrophysics Data System (ADS)

Chen, Q. Y.; Xu, D. F.; Niu, X. H.; Jiang, J.; Peng, R.; Xu, H. C.; Wen, C. H. P.; Ding, Z. F.; Huang, K.; Shu, L.; Zhang, Y. J.; Lee, H.; Strocov, V. N.; Shi, M.; Bisti, F.; Schmitt, T.; Huang, Y. B.; Dudin, P.; Lai, X. C.; Kirchner, S.; Yuan, H. Q.; Feng, D. L.

2017-07-01

Heavy-fermion systems share some of the strange metal phenomenology seen in other unconventional superconductors, providing a unique opportunity to set strange metals in a broader context. Central to understanding heavy-fermion systems is the interplay of localization and itinerancy. These materials acquire high electronic masses and a concomitant Fermi volume increase as the f electrons delocalize at low temperatures. However, despite the wide-spread acceptance of this view, a direct microscopic verification has been lacking. Here we report high-resolution angle-resolved photoemission measurements on CeCoIn5, a prototypical heavy-fermion compound, which spectroscopically resolve the development of band hybridization and the Fermi surface expansion over a wide temperature region. Unexpectedly, the localized-to-itinerant transition occurs at surprisingly high temperatures, yet f electrons are still largely localized even at the lowest temperature. These findings point to an unanticipated role played by crystal-field excitations in the strange metal behavior of CeCoIn5. Our results offer a comprehensive experimental picture of the heavy-fermion formation, setting the stage for understanding the emergent properties, including unconventional superconductivity, in this and related materials.

New Results on High Energy Cosmic Ray Electrons Observed with Fermi LAT and Their Implications on the Models of Pulsars

NASA Technical Reports Server (NTRS)

Moiseev, Alexander

2010-01-01

This viewgraph presentation describes, in detail, the Fermi Large Area Telescope (LAT) and GLAST Burst Monitor (GBM). Observations made from the June 11, 2008 launch and a discussion of observations made of high energy cosmic ray electrons is also presented.

Broken degeneracy of low frequency surface waves in semi-bounded quantum plasmas including the quantum recoil effect

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2018-02-01

We present a derivation of the dispersion relation for electrostatic waves propagating at the interface of semi-bounded quantum plasma in which degenerate electrons are governed by the Wigner-Poisson system, while non-degenerate ions follow the classical fluid equations. We consider parameters for metallic plasmas in terms of the ratio of plasmon energy to Fermi energy. The dispersion relation is solved numerically and analyzed for various plasmon energies. The result shows that two-mode of waves can be possible: high- and low-mode. We have found that the degeneracy for high-mode wave would be broken when the plasmon energy is larger than the Fermi energy. We also discuss the characteristics of group velocities for high- and low-mode waves.

Breakdown of the Migdal-Eliashberg theory: A determinant quantum Monte Carlo study

DOE PAGES

Esterlis, I.; Nosarzewski, B.; Huang, E. W.; ...

2018-04-02

The superconducting (SC) and charge-density-wave (CDW) susceptibilities of the two-dimensional Holstein model are computed using determinant quantum Monte Carlo, and compared with results computed using the Migdal-Eliashberg (ME) approach. We access temperatures as low as 25 times less than the Fermi energy, E F, which are still above the SC transition. We find that the SC susceptibility at low T agrees quantitatively with the ME theory up to a dimensionless electron-phonon coupling λ 0 ≈ 0.4 but deviates dramatically for larger λ 0. We find that for large λ 0 and small phonon frequency ω 0 << E F CDWmore » ordering is favored and the preferred CDW ordering vector is uncorrelated with any obvious feature of the Fermi surface.« less

Breakdown of the Migdal-Eliashberg theory: A determinant quantum Monte Carlo study

NASA Astrophysics Data System (ADS)

Esterlis, I.; Nosarzewski, B.; Huang, E. W.; Moritz, B.; Devereaux, T. P.; Scalapino, D. J.; Kivelson, S. A.

2018-04-01

The superconducting (SC) and charge-density-wave (CDW) susceptibilities of the two-dimensional Holstein model are computed using determinant quantum Monte Carlo, and compared with results computed using the Migdal-Eliashberg (ME) approach. We access temperatures as low as 25 times less than the Fermi energy, EF, which are still above the SC transition. We find that the SC susceptibility at low T agrees quantitatively with the ME theory up to a dimensionless electron-phonon coupling λ0≈0.4 but deviates dramatically for larger λ0. We find that for large λ0 and small phonon frequency ω0≪EF CDW ordering is favored and the preferred CDW ordering vector is uncorrelated with any obvious feature of the Fermi surface.

Fermi-edge superfluorescence from a quantum-degenerate electron-hole gas

NASA Astrophysics Data System (ADS)

Kim, Ji-Hee; , G. Timothy Noe, II; McGill, Stephen A.; Wang, Yongrui; Wójcik, Aleksander K.; Belyanin, Alexey A.; Kono, Junichiro

2013-11-01

Nonequilibrium can be a source of order. This rather counterintuitive statement has been proven to be true through a variety of fluctuation-driven, self-organization behaviors exhibited by out-of-equilibrium, many-body systems in nature (physical, chemical, and biological), resulting in the spontaneous appearance of macroscopic coherence. Here, we report on the observation of spontaneous bursts of coherent radiation from a quantum-degenerate gas of nonequilibrium electron-hole pairs in semiconductor quantum wells. Unlike typical spontaneous emission from semiconductors, which occurs at the band edge, the observed emission occurs at the quasi-Fermi edge of the carrier distribution. As the carriers are consumed by recombination, the quasi-Fermi energy goes down toward the band edge, and we observe a continuously red-shifting streak. We interpret this emission as cooperative spontaneous recombination of electron-hole pairs, or superfluorescence (SF), which is enhanced by Coulomb interactions near the Fermi edge. This novel many-body enhancement allows the magnitude of the spontaneously developed macroscopic polarization to exceed the maximum value for ordinary SF, making electron-hole SF even more ``super'' than atomic SF.

Enhanced superconductivity in surface-electron-doped iron pnictide Ba(Fe 1.94Co 0.06) 2As 2

DOE PAGES

Kyung, W. S.; Huh, S. S.; Koh, Y. Y.; ...

2016-08-15

The transition critical temperature (TC ) in a FeSe monolayer on SrTiO 3 is enhanced up to 100 K. High TC is also found in bulk iron chalcogenides with similar electronic structure to that of monolayer FeSe, which suggests that higher TC may be achieved through electron doping, pushing the Fermi surface (FS) topology towards leaving only electron pockets. Such observation, however, has been limited to chalcogenides and is in contrast with the iron pnictides for which the maximum TC is achieved with both hole and electron pockets forming considerable FS nesting instability. Here, we report angle-resolved photoemission (ARPES) characterizationmore » revealing a monotonic increase of TC from 24 to 41.5 K upon surface doping on optimally doped Ba(Fe 1-xCo x) 2As 2 . The doping changes the overall FS topology towards that of chalcogenides through a rigid downward band shift. Our findings suggest that higher electron doping and concomitant changes in FS topology are favorable conditions for the superconductivity, not only for iron chalcogenides but also for iron pnictides.« less

Electronic structure study of wide band gap magnetic semiconductor (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} nanocrystals in paramagnetic and ferromagnetic phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dwivedi, G. D.; Chou, H.; Yang, K. S.

2016-04-25

X-ray circular magnetic dichroism (XMCD), X-ray photoemission spectroscopy (XPS), and ultraviolet photoemission spectroscopy (UPS) techniques were used to study the electronic structure of nanocrystalline (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} near Fermi-level. XMCD results indicate that Mn{sup 3+} and Mn{sup 4+} spins are aligned parallel to each other at 20 K. The low M-H hysteresis curve measured at 5 K confirms ferromagnetic ordering in the (La{sub 0.6}Pr{sub 0.4}){sub 0.65}Ca{sub 0.35}MnO{sub 3} system. The low temperature valence band XPS indicates that coupling between Mn3d and O2p is enhanced and the electronic states near Fermi-level have been suppressed below T{sub C}. The valence bandmore » UPS also confirms the suppression of electronic states near Fermi-level below Curie temperature. UPS near Fermi-edge shows that the electronic states are almost absent below 0.5 eV (at 300 K) and 1 eV (at 115 K). This absence clearly demonstrates the existence of a wide band-gap in the system since, for hole-doped semiconductors, the Fermi-level resides just above the valence band maximum.« less

Theory of Raman scattering in coupled electron-phonon systems

NASA Astrophysics Data System (ADS)

Itai, K.

1992-01-01

The Raman spectrum is calculated for a coupled conduction-electron-phonon system in the zero-momentum-transfer limit. The Raman scattering is due to electron-hole excitations and phonons as well. The phonons of those branches that contribute to the electron self-energy and the correction of the electron-phonon vertex are assumed to have flat energy dispersion (the Einstein phonons). The effect of electron-impurity scattering is also incorporated. Both the electron-phonon interaction and the electron-impurity interaction cause the fluctuation of the electron distribution between different parts of the Fermi surface, which results in overdamped zero-sound modes of various symmetries. The scattering cross section is obtained by solving the Bethe-Salpeter equation. The spectrum shows a lower threshold at the smallest Einstein phonon energy when only the electron-phonon interaction is taken into consideration. When impurities are also taken into consideration, the threshold disappears.

Electronic structure of scandium-doped MgB2

NASA Astrophysics Data System (ADS)

de La Peña, Omar; Agrestini, Stefano

2005-03-01

Recently has been reported the synthesis of a new superconducting alloy based on MgB2, where Mg is partially substituted with Sc. In order to analyze the effect of Sc doping on the structural and superconducting properties of Mg1-xScxB2, we have performed a detailed study of the electronic structure for this new diboride. The calculations have been done using the first-principles LAPW method, within the supercell approach for modeling the doping. In this work we report results for the electronic band structure, Fermi surface, and density of states. The effect of the Sc-d orbitals on the structural and electronic properties of Mg1-xScxB2 is analyzed. Increasing the Sc concentration (x) the σ-band is gradually filled, because Sc have one valence electron more than Mg. Interestingly, the analysis of the band structure shows that even for ScB2 the top of the σ-band remain above the Fermi level, nevertheless the σ-band presents high dispersion and has an important contribution of d states. In this way, in addition to the band filling effect, Sc doping gradually reduces the two-dimensional character of the σ- band in Mg1-xScxB2 as a result of increasing the sp(B)-d(Sc) hybridization. This research was partially supported by Consejo Nacional de Ciencia y Tecnolog'ia (CONACYT, M'exico) under Grant. No. 43830-F

Effects of impurity adsorption on topological surface states of Bi2Te3

NASA Astrophysics Data System (ADS)

Shati, Khaqan; Arshad Farhan, M.; Selva Chandrasekaran, S.; Shim, Ji Hoon; Lee, Geunsik

2017-08-01

Electronic structures of Bi2Te3 with adsorption of Rb, In, Ga and Au atoms are studied by using the first-principle method, focusing on the effect of non-magnetic impurities on the topologically protected surface states. Upon monolayer formation, the bulk conduction band is moved down to the Fermi level with a significant Rashba splitting due to n-doping behavior with band modification details depending on the adatom chemistry. Our study shows the robustness of the intrinsic spin-momentum coupled surface band and emergence of a new similar one, which could provide helpful insight for developing novel spintronic devices.

Surface State Density Determines the Energy Level Alignment at Hybrid Perovskite/Electron Acceptors Interfaces.

PubMed

Zu, Fengshuo; Amsalem, Patrick; Ralaiarisoa, Maryline; Schultz, Thorsten; Schlesinger, Raphael; Koch, Norbert

2017-11-29

Substantial variations in the electronic structure and thus possibly conflicting energetics at interfaces between hybrid perovskites and charge transport layers in solar cells have been reported by the research community. In an attempt to unravel the origin of these variations and enable reliable device design, we demonstrate that donor-like surface states stemming from reduced lead (Pb 0 ) directly impact the energy level alignment at perovskite (CH 3 NH 3 PbI 3-x Cl x ) and molecular electron acceptor layer interfaces using photoelectron spectroscopy. When forming the interfaces, it is found that electron transfer from surface states to acceptor molecules occurs, leading to a strong decrease in the density of ionized surface states. As a consequence, for perovskite samples with low surface state density, the initial band bending at the pristine perovskite surface can be flattened upon interface formation. In contrast, for perovskites with a high surface state density, the Fermi level is strongly pinned at the conduction band edge, and only minor changes in surface band bending are observed upon acceptor deposition. Consequently, depending on the initial perovskite surface state density, very different interface energy level alignment situations (variations over 0.5 eV) are demonstrated and rationalized. Our findings help explain the rather dissimilar reported energy levels at interfaces with perovskites, refining our understanding of the operating principles in devices comprising this material.

Ambipolar surface state thermoelectric power of topological insulator Bi2Se3.

PubMed

Kim, Dohun; Syers, Paul; Butch, Nicholas P; Paglione, Johnpierre; Fuhrer, Michael S

2014-01-01

We measure gate-tuned thermoelectric power of mechanically exfoliated Bi2Se3 thin films in the topological insulator regime. The sign of the thermoelectric power changes across the charge neutrality point as the majority carrier type switches from electron to hole, consistent with the ambipolar electric field effect observed in conductivity and Hall effect measurements. Near the charge neutrality point and at low temperatures, the gate-dependent thermoelectric power follows the semiclassical Mott relation using the expected surface state density of states but is larger than expected at high electron doping, possibly reflecting a large density of states in the bulk gap. The thermoelectric power factor shows significant enhancement near the electron-hole puddle carrier density ∼0.5 × 10(12) cm(-2) per surface at all temperatures. Together with the expected reduction of lattice thermal conductivity in low-dimensional structures, the results demonstrate that nanostructuring and Fermi level tuning of three-dimensional topological insulators can be promising routes to realize efficient thermoelectric devices.

Theoretical Interpretation of Pass 8 Fermi -LAT e + + e - Data

DOE PAGES

Di Mauro, M.; Manconi, S.; Vittino, A.; ...

2017-08-17

The flux of positrons and electrons (e + + e -) has been measured by the Fermi Large Area Telescope (LAT) in the energy range between 7 GeV and 2 TeV. Here, we discuss a number of interpretations of Pass 8 Fermi-LAT e + + e - spectrum, combining electron and positron emission from supernova remnants (SNRs) and pulsar wind nebulae (PWNe), or produced by the collision of cosmic rays (CRs) with the interstellar medium. We also found that the Fermi-LAT spectrum is compatible with the sum of electrons from a smooth SNR population, positrons from cataloged PWNe, and amore » secondary component. If we include in our analysis constraints from the AMS-02 positron spectrum, we obtain a slightly worse fit to the e + + e - Fermi-LAT spectrum, depending on the propagation model. As an additional scenario, we replace the smooth SNR component within 0.7 kpc with the individual sources found in Green's catalog of Galactic SNRs. We find that separate consideration of far and near sources helps to reproduce the e + + e - Fermi-LAT spectrum. However, we show that the fit degrades when the radio constraints on the positron emission from Vela SNR (which is the main contributor at high energies) are taken into account. We find that a break in the power-law injection spectrum at about 100 GeV can also reproduce the measured e + + e -spectrum and, among the CR propagation models that we consider, no reasonable break of the power-law dependence of the diffusion coefficient can modify the electron flux enough to reproduce the observed shape.« less

Theoretical Interpretation of Pass 8 Fermi -LAT e + + e - Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Di Mauro, M.; Manconi, S.; Vittino, A.

The flux of positrons and electrons (e + + e -) has been measured by the Fermi Large Area Telescope (LAT) in the energy range between 7 GeV and 2 TeV. Here, we discuss a number of interpretations of Pass 8 Fermi-LAT e + + e - spectrum, combining electron and positron emission from supernova remnants (SNRs) and pulsar wind nebulae (PWNe), or produced by the collision of cosmic rays (CRs) with the interstellar medium. We also found that the Fermi-LAT spectrum is compatible with the sum of electrons from a smooth SNR population, positrons from cataloged PWNe, and amore » secondary component. If we include in our analysis constraints from the AMS-02 positron spectrum, we obtain a slightly worse fit to the e + + e - Fermi-LAT spectrum, depending on the propagation model. As an additional scenario, we replace the smooth SNR component within 0.7 kpc with the individual sources found in Green's catalog of Galactic SNRs. We find that separate consideration of far and near sources helps to reproduce the e + + e - Fermi-LAT spectrum. However, we show that the fit degrades when the radio constraints on the positron emission from Vela SNR (which is the main contributor at high energies) are taken into account. We find that a break in the power-law injection spectrum at about 100 GeV can also reproduce the measured e + + e -spectrum and, among the CR propagation models that we consider, no reasonable break of the power-law dependence of the diffusion coefficient can modify the electron flux enough to reproduce the observed shape.« less

Electro-optic investigation of the n-alkanethiol GaAs(001) interface: Surface phenomena and applications to photoluminescence-based biosensing

NASA Astrophysics Data System (ADS)

Marshall, Gregory M.

Semiconductor surfaces coupled to molecular structures derived from organic chemistry form the basis of an emerging class of field-effect devices. In addition to molecular electronics research, these interfaces are developed for a variety of sensor applications in the electronic and optical domains. Of practical interest are self-assembled monolayers (SAMs) comprised of n-alkanethiols [HS(CH2)n], which couple to the GaAs(001) surface through S-GaAs covalent bond formation. These SAMs offer potential functionality in terms of the requisite sensor chemistry and the passivation effect such coupling is known to afford. In this thesis, the SAM-GaAs interface is investigated in the context of a photonic biosensor based on photoluminescence (PL) variation. The scope of the work is categorized into three parts: i) the structural and compositional analysis of the surface using X-ray photoelectron spectroscopy (XPS), ii) the investigation of electronic properties at the interface under equilibrium conditions using infrared (IR) spectroscopy, the Kelvin probe method, and XPS, and iii) the analysis of the electro-optic response under steady-state photonic excitation, specifically, the surface photovoltage (SPV) and PL intensity. Using a partial overlayer model of angle-resolved XPS spectra in which the component assignments are shown to be quantitatively valid, the coverage fraction of methyl-terminated SAMs is shown to exceed 90%. Notable among the findings are a low-oxide, Ga-rich surface with elemental As present in sub-monolayer quantities consistent with theoretical surface morphologies. Modal analysis of transmission IR spectra show that the SAM molecular order is sufficient to support a Beer-Lambert determination of the IR optical constants, which yields the observation of a SAM-specific absorbance enhancement. By correlation of the IR absorbance with the SAM dipole layer potential, the enhancement mechanism is attributed to the vibrational moments added by the electronic polarizability in the static field of the SAM. Lastly, the surface Fermi level position is determined by XPS and is used to interpret SPV results in terms of a thiol-induced reduction of the surface cross-section for minority carrier-capture. Numerical analysis confirms this result based on the carrier transport theory of PL intensity by means of a reduction of the surface recombination velocity. Keywords: photonics, biosensor, GaAs, self-assembled monolayers, X-ray photoelectron spectroscopy, IR spectroscopy, photoluminescence, surface Fermi level, surface photovoltage.

Heavy Fermions

NASA Astrophysics Data System (ADS)

Sugiyama, K.; Ónuki, Y.

Recent experimental results of high-field magnetization and de Haas-van Alphen experiments in f-electron systems are presented. The magnetic moment and the electronic state are simultaneously discussed because both properties are connected with each other. The first example is a drastic change of the Fermi surface in the antiferromagnet NdIn3. The second is the metamagnetic transition based on the quadrupolar interaction in PrCu2. The third is the metamagnetic transition in a typical heavy fermion compound CeRu2Si2, together with the heavy fermion uranium compounds such as UPd2Al3, URu2Si2 and UPt3.

Fermi surfaces, spin-mixing parameter, and colossal anisotropy of spin relaxation in transition metals from ab initio theory

NASA Astrophysics Data System (ADS)

Zimmermann, Bernd; Mavropoulos, Phivos; Long, Nguyen H.; Gerhorst, Christian-Roman; Blügel, Stefan; Mokrousov, Yuriy

2016-04-01

The Fermi surfaces and Elliott-Yafet spin-mixing parameter (EYP) of several elemental metals are studied by ab initio calculations. We focus first on the anisotropy of the EYP as a function of the direction of the spin-quantization axis [B. Zimmermann et al., Phys. Rev. Lett. 109, 236603 (2012), 10.1103/PhysRevLett.109.236603]. We analyze in detail the origin of the gigantic anisotropy in 5 d hcp metals as compared to 5 d cubic metals by band structure calculations and discuss the stability of our results against an applied magnetic field. We further present calculations of light (4 d and 3 d ) hcp crystals, where we find a huge increase of the EYP anisotropy, reaching colossal values as large as 6000 % in hcp Ti. We attribute these findings to the reduced strength of spin-orbit coupling, which promotes the anisotropic spin-flip hot loops at the Fermi surface. In order to conduct these investigations, we developed an adapted tetrahedron-based method for the precise calculation of Fermi surfaces of complicated shape and accurate Fermi-surface integrals within the full-potential relativistic Korringa-Kohn-Rostoker Green function method.

Recent Developments in Non-Fermi Liquid Theory

NASA Astrophysics Data System (ADS)

Lee, Sung-Sik

2018-03-01

Non-Fermi liquids are unconventional metals whose physical properties deviate qualitatively from those of noninteracting fermions due to strong quantum fluctuations near Fermi surfaces. They arise when metals are subject to singular interactions mediated by soft collective modes. In the absence of well-defined quasiparticles, universal physics of non-Fermi liquids is captured by interacting field theories which replace Landau Fermi liquid theory. However, it has been difficult to understand their universal low-energy physics due to a lack of theoretical methods that take into account strong quantum fluctuations in the presence of abundant low-energy degrees of freedom. In this review, we discuss two approaches that have been recently developed for non-Fermi liquid theory with emphasis on two space dimensions. The first is a perturbative scheme based on a dimensional regularization, which achieves a controlled access to the low-energy physics by tuning the codimension of Fermi surface. The second is a nonperturbative approach which treats the interaction ahead of the kinetic term through a non-Gaussian scaling called interaction-driven scaling. Examples of strongly coupled non-Fermi liquids amenable to exact treatments through the interaction-driven scaling are discussed.

Variational theory of valence fluctuations: Ground states and quasiparticle excitations of the Anderson lattice model

NASA Astrophysics Data System (ADS)

Brandow, B. H.

1986-01-01

A variational study of ground states of the orbitally nondegenerate Anderson lattice model, using a wave function with one variational parameter per Bloch state k, has been extended to deal with essentially metallic systems having a nonintegral number of electrons per site. Quasiparticle excitations are obtained by direct appeal to Landau's original definition for interacting Fermi liquids, scrEqp(k,σ)=δEtotal/δn qp(k,σ). This approach provides a simple and explicit realization of the Luttinger picture of a periodic Fermi liquid. A close correspondence is maintained between the ``interacting'' (U=∞) system and the corresponding ``noninteracting'' (U=0) case, i.e., ordinary band theory; the result can be described as a renormalized band or renormalized hybridization theory. The occupation-number distribution for the conduction orbitals displays a finite discontinuity at the Fermi surface. If the d-f hybridization is nonzero throughout the Brillouin zone, the quasiparticle spectrum will always exhibit a gap, although this gap becomes exponentially small (i.e., of order TK) in the Kondo-lattice regime. In the ``ionic'' case with precisely two electrons per site, such a system may therefore exhibit an insulating (semiconducting) gap. The quasiparticle state density exhibits a prominent spike on each side of the spectral gap, just as in the elementary hybridization model (the U=0 case). For the metallic case, with a nonintegral number of electrons per site, the Fermi level falls within one of the two sharp density peaks. The effective mass at the Fermi surface tends to be very large; enhancements by a factor >~102 are quite feasible. The foregoing variational theory has also been refined by means of a trial wave function having two variational parameters per Bloch state k. The above qualitative features are all retained, with some quantitative differences, but there are also some qualitatively new features. The most interesting of these is the appearance, within the Kondo regime, of a significant quasiparticle contribution to the f spectral weight in the vicinity of ɛf. The present ``one-parameter'' and ``two-parameter'' versions can be viewed as lattice generalizations of the first two approximations of the (1/Nf)-expansion school, although our treatment of lattice aspects departs from strict 1/Nf methodology. The two versions have Wilson ratios ≡1 and ≠1, respectively, consistent with (1/Nf)-expansion studies of the single-impurity model, and a number of other features likewise show good correspondence with (1/Nf)-expansion results. Implications are presented for the finite-temperature behaviors of several properties, especially the specific heat and electrical resistivity. Comparison with experiment then leads to some inferences about the band structures of heavy-fermion materials. A new mechanism is presented for breakup of the coherent Fermi-liquid behavior, as temperature is increased. There are two main approximations: (a) Neglect of the ``site exclusion'' problem, i.e., within cluster-expansion terms we ignore the requirement that interacting sites must all be distinct. (b) Assumption of a low density of excited quasiparticles (those excited from the ``far'' side of the hybridization gap) limits the present treatment to very low temperatures, T<

Observation of oscillatory relaxation in the Sn-terminated surface of epitaxial rock-salt SnSe { 111 } topological crystalline insulator

NASA Astrophysics Data System (ADS)

Jin, Wencan; Dadap, Jerry; Osgood, Richard; Vishwanath, Suresh; Lien, Huai-Hsun; Chaney, Alexander; Xing, Huili; Liu, Jianpeng; Kong, Lingyuan; Ma, Junzhang; Qian, Tian; Ding, Hong; Sadowski, Jerzy; Dai, Zhongwei; Pohl, Karsten; Lou, Rui; Wang, Shancai; Liu, Xinyu; Furdyna, Jacek

Topological crystalline insulators have been recently observed in rock-salt SnSe { 111 } thin films. Previous studies have suggested that the Se-terminated surface of this thin film with hydrogen passivation is a preferred configuration. In this work, synchrotron-based angle-resolved photoemission spectroscopy, along with density functional theory calculations, are used to demonstrate conclusively that a rock-salt SnSe { 111 } thin film has a stable Sn-terminated surface. These observations are supported by low energy electron diffraction (LEED) intensity-voltage measurements and dynamical LEED calculations, which further show that the Sn-terminated SnSe { 111 } thin film has undergone an oscillatory surface structural relaxation. In sharp contrast to the Se-terminated counterpart, the Dirac surface state in the Sn-terminated SnSe { 111 } thin film yields a high Fermi velocity, 0 . 50 ×106 m/s, which may lead to high-speed electronic device applications. DOE No. DE-FG 02-04-ER-46157.

Interplanar coupling-dependent magnetoresistivity in high-purity layered metals

DOE PAGES

Kikugawa, N.; Goswami, P.; Kiswandhi, A.; ...

2016-03-29

The magnetic field-induced changes in the conductivity of metals are the subject of intense interest, both for revealing new phenomena and as a valuable tool for determining their Fermi surface. Here we report a hitherto unobserved magnetoresistive effect in ultra-clean layered metals, namely a negative longitudinal magnetoresistance that is capable of overcoming their very pronounced orbital one. This effect is correlated with the interlayer coupling disappearing for fields applied along the so-called Yamaji angles where the interlayer coupling vanishes. Therefore, it is intrinsically associated with the Fermi points in the field-induced quasi-one-dimensional electronic dispersion, implying that it results from themore » axial anomaly among these Fermi points. In its original formulation, the anomaly is predicted to violate separate number conservation laws for left- and right-handed chiral (for example, Weyl) fermions. Furthermore, its observation in PdCoO 2, PtCoO 2 and Sr 2RuO 4 suggests that the anomaly affects the transport of clean conductors, in particular near the quantum limit.« less

Des proprietes de l'etat normal du modele de Hubbard bidimensionnel

NASA Astrophysics Data System (ADS)

Lemay, Francois

Depuis leur decouverte, les etudes experimentales ont demontre que les supra-conducteurs a haute temperature ont une phase normale tres etrange. Les proprietes de ces materiaux ne sont pas bien decrites par la theorie du liquide de Fermi. Le modele de Hubbard bidimensionnel, bien qu'il ne soit pas encore resolu, est toujours considere comme un candidat pour expliquer la physique de ces composes. Dans cet ouvrage, nous mettons en evidence plusieurs proprietes electroniques du modele qui sont incompatibles avec l'existence de quasi-particules. Nous montrons notamment que la susceptibilite des electrons libres sur reseau contient des singularites logarithmiques qui influencent de facon determinante les proprietes de la self-energie a basse frequence. Ces singularites sont responsables de la destruction des quasi-particules. En l'absence de fluctuations antiferromagnetiques, elles sont aussi responsables de l'existence d'un petit pseudogap dans le poids spectral au niveau de Fermi. Les proprietes du modele sont egalement etudiees pour une surface de Fermi similaire a celle des supraconducteurs a haute temperature. Un parallele est etabli entre certaines caracteristiques du modele et celles de ces materiaux.

Heavy surface state in a possible topological Kondo insulator: Magnetothermoelectric transport on the (011) plane of SmB 6

DOE PAGES

Luo, Yongkang; Chen, Hua; Dai, Jianhui; ...

2015-02-25

Motivated by the high sensitivity to Fermi surface topology and scattering mechanisms in magnetothermoelectric transport, we have measured the thermopower and Nernst effect on the (011) plane of the proposed topological Kondo insulator SmB 6. These experiments, together with electrical resistivity and Hall effect measurements, suggest that the (011) plane also harbors a metallic surface with an effective mass on the order of 10–10 2 m 0. The surface and bulk conductances are well distinguished in these measurements and are categorized into metallic and nondegenerate semiconducting regimes, respectively. As a result, electronic correlations play an important role in enhancing scatteringmore » and also contribute to the heavy surface state.« less

Resistivity scaling and electron relaxation times in metallic nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moors, Kristof, E-mail: kristof@itf.fys.kuleuven.be; Imec, Kapeldreef 75, B-3001 Leuven; Sorée, Bart

2014-08-14

We study the resistivity scaling in nanometer-sized metallic wires due to surface roughness and grain-boundaries, currently the main cause of electron scattering in nanoscaled interconnects. The resistivity has been obtained with the Boltzmann transport equation, adopting the relaxation time approximation of the distribution function and the effective mass approximation for the conducting electrons. The relaxation times are calculated exactly, using Fermi's golden rule, resulting in a correct relaxation time for every sub-band state contributing to the transport. In general, the relaxation time strongly depends on the sub-band state, something that remained unclear with the methods of previous work. The resistivitymore » scaling is obtained for different roughness and grain-boundary properties, showing large differences in scaling behavior and relaxation times. Our model clearly indicates that the resistivity is dominated by grain-boundary scattering, easily surpassing the surface roughness contribution by a factor of 10.« less

GaAsSb bandgap, surface fermi level, and surface state density studied by photoreflectance modulation spectroscopy

NASA Astrophysics Data System (ADS)

Hwang, J. S.; Tsai, J. T.; Su, I. C.; Lin, H. C.; Lu, Y. T.; Chiu, P. C.; Chyi, J. I.

2012-05-01

The bandgap, surface Fermi level, and surface state density of a series of GaAs1-xSbx surface intrinsic-n+ structures with GaAs as substrate are determined for various Sb mole fractions x by the photoreflectance modulation spectroscopy. The dependence of the bandgap on the mole composition x is in good agreement with previous measurements as well as predictions calculated using the dielectric model of Van Vechten and Bergstresser in Phys. Rev. B 1, 3551 (1970). For a particular composition x, the surface Fermi level is always strongly pinned within the bandgap of GaAs1-xSbx and we find its variation with composition x is well described by a function EF = 0.70 - 0.192 x for 0 ≦ x ≦ 0.35, a result which is notably different from that reported by Chouaib et al. [Appl. Phys. Lett. 93, 041913 (2008)]. Our results suggest that the surface Fermi level is pinned at the midgap of GaAs and near the valence band of the GaSb.

Second-Order Fermi Acceleration and Emission in Blazar Jets

NASA Astrophysics Data System (ADS)

Asano, Katsuaki; Takahara, Fumio; Toma, Kenji; Kusunose, Masaaki; Kakuwa, Jun

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations, adopt it for 1ES 1101-232, and Mrk 421. The Fermi-II model with radial evolution of the electron injection rate and/or diffusion coefficient can reproduce the spectra from the radio to the gamma-ray regime. For Mrk 421, an external radio photon field with a luminosity of 4.9 begin{math} {times} 10 (38) erg s (-1) is required to agree with the observed GeV flux. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.

Reduced electronic correlation effects in half substituted Ba(Fe1-xCox)2As2

NASA Astrophysics Data System (ADS)

Liu, Z.-H.; Yaresko, A. N.; Li, Y.; Evtushinsky, D. V.; Dai, P.-C.; Borisenko, S. V.

2018-06-01

We report a comprehensive study of the tridimensional nature and orbital character of the low-energy electronic structure in 50% Cobalt doped Ba(Fe1-xCox)2As2 (d6.5), by using polarization- and photon energy-dependent angle-resolved photoemission spectroscopy. An extra electron-like Fermi surface is observed around the Brillouin zone boundary compared with isoelectronic KyFe2-xSe2 (d6.5). The bands near the Fermi level (EF) are mainly derived from Fe/Co 3d t2g orbitals, revealing visible dispersions along the kz direction. In combination with the local density approximation and the dynamical mean-field theory calculations, we find that the As 4p bands are non-renormalized and the whole 3d band needs to be renormalized by a "single" factor of ˜1.6, indicating moderate electronic correlation effects. The "single" factor description of the correlation strength among the different 3d orbitals is also in sharp contrast to orbital-dependent correlation effects in BaFe2As2. Our findings indicate a remarkable reduction of correlation effects with little difference among 3d orbitals in BaFeCoAs2, due to the increased filling of the electronic 3d shell in the presence of significant Hund's coupling. The results support that the electronic correlation effects and multiple orbital physics play an important role in the superconductivity of the 122 system and in other ferropnictides.

Specific heat, Electrical resistivity and Electronic band structure properties of noncentrosymmetric Th7Fe3 superconductor.

PubMed

Tran, V H; Sahakyan, M

2017-11-17

Noncentrosymmetric superconductor Th 7 Fe 3 has been investigated by means of specific heat, electrical resisitivity measurements and electronic properties calculations. Sudden drop in the resistivity at 2.05 ± 0.15 K and specific heat jump at 1.98 ± 0.02 K are observed, rendering the superconducting transition. A model of two BCS-type gaps appears to describe the zero-magnetic-field specific heat better than those based on the isotropic BCS theory or anisotropic functions. A positive curvature of the upper critical field H c2 (T c ) and nonlinear field dependence of the Sommerfeld coefficient at 0.4 K qualitatively support the two-gap scenario, which predicts H c2 (0) = 13 kOe. The theoretical densities of states and electronic band structures (EBS) around the Fermi energy show a mixture of Th 6d- and Fe 3d-electrons bands, being responsible for the superconductivity. Furthermore, the EBS and Fermi surfaces disclose significantly anisotropic splitting associated with asymmetric spin-orbit coupling (ASOC). The ASOC sets up also multiband structure, which presumably favours a multigap superconductivity. Electron Localization Function reveals the existence of both metallic and covalent bonds, the latter may have different strengths depending on the regions close to the Fe or Th atoms. The superconducting, electronic properties and implications of asymmetric spin-orbit coupling associated with noncentrosymmetric structure are discussed.

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

PubMed

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Hole Fermi surface in Bi2Se3 probed by quantum oscillations

NASA Astrophysics Data System (ADS)

Piot, B. A.; Desrat, W.; Maude, D. K.; Orlita, M.; Potemski, M.; Martinez, G.; Hor, Y. S.

2016-04-01

Transport and torque magnetometry measurements are performed at high magnetic fields and low temperatures in a series of p-type (Ca-doped) Bi2Se3 crystals. The angular dependence of the Shubnikov-de Haas and de Haas-van Alphen quantum oscillations enables us to determine the Fermi surface of the bulk valence band states as a function of the carrier density. At low density, the angular dependence exhibits a downturn in the oscillations frequency between 0∘ and 90∘, reflecting a bag-shaped hole Fermi surface. The detection of a single frequency for all tilt angles rules out the existence of a Fermi surface with different extremal cross sections down to 24 meV. There is therefore no signature of a camelback in the valence band of our bulk samples, in accordance with the direct band gap predicted by G W calculations.

Electronic Structure and Transport in Solids from First Principles

NASA Astrophysics Data System (ADS)

Mustafa, Jamal Ibrahim

The focus of this dissertation is the determination of the electronic structure and trans- port properties of solids. We first review some of the theory and computational methodology used in the calculation of electronic structure and materials properties. Throughout the dissertation, we make extensive use of state-of-the-art software packages that implement density functional theory, density functional perturbation theory, and the GW approximation, in addition to specialized methods for interpolating matrix elements for extremely accurate results. The first application of the computational framework introduced is the determination of band offsets in semiconductor heterojunctions using a theory of quantum dipoles at the interface. This method is applied to the case of heterojunction formed between a new metastable phase of silicon, with a rhombohedral structure, and cubic silicon. Next, we introduce a novel method for the construction of localized Wannier functions, which we have named the optimized projection functions method (OPFM). We illustrate the method on a variety of systems and find that it can reliably construct localized Wannier functions with minimal user intervention. We further develop the OPFM to investigate a class of materials called topological insulators, which are insulating in the bulk but have conductive surface states. These properties are a result of a nontrivial topology in their band structure, which has interesting effects on the character of the Wannier functions. In the last sections of the main text, the noble metals are studied in great detail, including their electronic properties and carrier dynamics. In particular, we investigate, the Fermi surface properties of the noble metals, specifically electron-phonon scattering lifetimes, and subsequently the transport properties determined by carriers on the Fermi surface. To achieve this, a novel sampling technique is developed, with wide applicability to transport calculations. Additionally, the generation and transport of hot carriers is studied extensively. The distribution of hot carriers generated from the decay of plasmons is explored over a range of energy, and the transport properties, particularly the lifetimes and mean-free-paths, of the hot carriers are determined. Lastly, appendices detailing the implementation of the algorithms developed in the work is presented, along with a useful derivation of the electron-plasmon matrix elements.

Adsorbate-induced shifts of electronic surface states: Cs on the (100) faces of tungsten, molybdenum, and tantalum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soukiassian, P.; Riwan, R.; Lecante, J.

1985-04-15

The adsorption of cesium on the (100) faces of W, Mo, and Ta for coverages between 0 and 1 monolayer is studied by angle-resolved ultraviolet photoemission spectroscopy with use of synchro- tron radiation, by electron-energy-loss spectroscopy, and by low-energy electron diffraction. With increasing cesiation, the W(100) surface state at Gamma-bar located 0.3 eV below the Fermi level is shifted by up to 1.0 eV to larger binding energies while remaining sharp and intense. A similar behavior is observed on Ta(100), whereas on Mo(100) the shift of 0.9 eV of this surface state is accompanied by a pronounced attenuation of itsmore » intensity. These experimental shifts are shown to be in excellent agreement with all-electron local-density-functional results obtained with the full-potential linearized augmented-plane-wave method for Cs monolayers on the W(100) and Mo(100) surfaces. Based on these ab initio results, the electronic origin of the shifts is understood by the formation of strongly polarized covalent bonds between the d-like surface states and the Cs 6s--derived valence states. It is argued that even at high Cs coverages, the main electron-energy-loss peaks, which are observed between 1 and 2 eV, could be interpreted as Cs 6s..-->..6p--like interband transitions rather than as surface-plasmon peaks.« less

Time-Dependent Thomas-Fermi Approach for Electron Dynamics in Metal Clusters

NASA Astrophysics Data System (ADS)

Domps, A.; Reinhard, P.-G.; Suraud, E.

1998-06-01

We propose a time-dependent Thomas-Fermi approach to the (nonlinear) dynamics of many-fermion systems. The approach relies on a hydrodynamical picture describing the system in terms of collective flow. We investigate in particular an application to electron dynamics in metal clusters. We make extensive comparisons with fully fledged quantal dynamical calculations and find overall good agreement. The approach thus provides a reliable and inexpensive scheme to study the electronic response of large metal clusters.

Free electron laser-driven ultrafast rearrangement of the electronic structure in Ti

PubMed Central

Principi, E.; Giangrisostomi, E.; Cucini, R.; Bencivenga, F.; Battistoni, A.; Gessini, A.; Mincigrucci, R.; Saito, M.; Di Fonzo, S.; D'Amico, F.; Di Cicco, A.; Gunnella, R.; Filipponi, A.; Giglia, A.; Nannarone, S.; Masciovecchio, C.

2015-01-01

High-energy density extreme ultraviolet radiation delivered by the FERMI seeded free-electron laser has been used to create an exotic nonequilibrium state of matter in a titanium sample characterized by a highly excited electron subsystem at temperatures in excess of 10 eV and a cold solid-density ion lattice. The obtained transient state has been investigated through ultrafast absorption spectroscopy across the Ti M2,3-edge revealing a drastic rearrangement of the sample electronic structure around the Fermi level occurring on a time scale of about 100 fs. PMID:26798835

Many-body exciton states in self-assembled quantum dots coupled to a Fermi sea

NASA Astrophysics Data System (ADS)

Koenraad, P. M.; Kleemans, N. A. J. M.; van Bree, J.; Govorov, A. O.; Hamhuis, G. J.; Notzel, R.; Silov, A. Yu.

2010-03-01

Using voltage dependent photoluminescence spectroscopy we have studied the coupling between QD states and the continuum of states of a Fermi sea of electrons in the close proximity of a self-assembled InAs quantum dot embedded in GaAs. This coupling gives rise to new optical transitions, manifesting the formation of many-body exciton states. The lines in the photoluminescence spectra can be well explained within the Anderson and Mahan exciton models. The presence of Mahan excitons originates from the Coulomb interaction between electrons in the Fermi sea and the hole(s) in the QD whereas a the second type of many-body exciton is due to a hybridized exciton originating from the tunnel interaction between the continuum of states in the Fermi sea and the localized state in the QD. Our study demonstrates the possibility to investigate a variety of many-body states in QDs coupled to a Fermi sea and opens the way to investigate optically the Kondo effect and related spin phenomena in these systems.

Nonlocal screening in metal surfaces

NASA Technical Reports Server (NTRS)

Krotscheck, E.; Kohn, W.

1986-01-01

Due to the effect of the nonuniform environment on the static screening of the Coulomb potential, the local-density approximation for the particle-hole interaction is found to be inadequate to determine the surface energy of simple metals. Use of the same set of single-particle states, and thus the same one-body density and the same work function, has eliminated the single-electron states in favor of the structure of the short-ranged correlations as the basis of this effect. A posteriori simplifications of the Fermi hypernetted-chain theory may be found to allow the same calculational accuracy with simpler computational tools.

Surface passivation of p-type Ge substrate with high-quality GeNx layer formed by electron-cyclotron-resonance plasma nitridation at low temperature

NASA Astrophysics Data System (ADS)

Fukuda, Yukio; Okamoto, Hiroshi; Iwasaki, Takuro; Otani, Yohei; Ono, Toshiro

2011-09-01

We have investigated the effects of the formation temperature and postmetallization annealing (PMA) on the interface properties of GeNx/p-Ge fabricated by the plasma nitridation of Ge substrates using an electron-cyclotron-resonance-generated nitrogen plasma. The nitridation temperature is found to be a critical parameter in improving the finally obtained GeNx/Ge interface properties. The GeNx/Ge formed at room temperature and treated by PMA at 400 °C exhibits the best interface properties with an interface trap density of 1 × 1011 cm-2 eV-1. The GeNx/Ge interface is unpinned and the Fermi level at the Ge surface can move from the valence band edge to the conduction band edge.