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We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave-functions of the tip and sample are calculated separately on the…

Materials Science · Physics 2016-08-16 Óscar Paz , Iván Brihuega , José M. Gómez-Rodríguez , José M. Soler

Spectroscopic measurements with low-temperature scanning tunneling microscopes have been used very successfully for studying not only individual atomic or molecular spins on surfaces but also complexly designed coupled systems. The symmetry…

Mesoscale and Nanoscale Physics · Physics 2017-03-28 Markus Ternes

The physical properties of ultrathin NaCl overlayers on the stepped Cu(311) surface have been characterized using scanning tunneling microscopy (STM) and spectroscopy, and density functional calculations. Simulations of STM images and…

Materials Science · Physics 2009-11-10 F. E. Olsson , M. Persson , J. Repp , G. Meyer

The Scanning Tunneling Microscope is a powerful tool for studying the electronic properties at the atomic level, however it's relatively small scanning range and the fact that it can only operate on conducting samples prevents its…

We report the results of a cryogenic study of the modification of YBa2Cu3O7-delta surface electronic properties with the probe of a scanning tunneling microscope (STM). A negative voltage applied to the sample during STM tunneling is found…

Superconductivity · Physics 2009-11-10 S. Urazhdin , W. K. Neils , S. H. Tessmer , Norman O. Birge , D. J. Van Harlingen

The band structure and the Fermi surface of hexagonal diborides ZrB2, VB2, NbB2, TaB2 have been studied by the self-consistent full-potential LMTO method and compared with those for the isostructural superconductor MgB2. Factors responsible…

Superconductivity · Physics 2007-05-23 I. R. Shein , A. L. Ivanovskii

Binary metallic carbides belong to a technologically prominent class of materials. We have explored the structural, mechanical, electronic, optical, and some thermophysical properties of XC (X = Nb, Ta, Ti) binary metallic carbides in…

Materials Science · Physics 2022-09-26 Razu Ahmed , Md. Mahamudujjaman , Md. Asif Afzal , Md. Sajidul Islam , R. S. Islam , S. H. Naqib

In this study, sub-angstrom spatial resolution is achieved in mapping and spectroscopy of atoms and bonds within polygonal grain boundaries (GBs) of graphite using Scanning Tunneling Microscopy (STM). Robust van Hove singularities (VHS) are…

Mesoscale and Nanoscale Physics · Physics 2023-11-29 Nirjhar Sarkar , Prabhakar R. Bandaru , Robert C. Dynes

Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…

We studied the electronic structure of SmB6 employing density functional theory (DFT) using different exchange potentials, spin-orbit coupling (SOC) and electron correlation (U = correlation strength). All the calculations carried out in…

Strongly Correlated Electrons · Physics 2019-08-05 Anup Pradhan Sakhya , Kalobaran Maiti

Bulk and surface properties of high-quality single crystals of zirconium dodecaboride have been studied in the temperature range from 4.5 K up to the superconducting transition temperature which is found to be nearly 6.06 K. Scanning…

The properties of nanoscopic superconducting structures fabricated with a scanning tunnelling microscope are reviewed, with emphasis on the effects of high magnetic fields. These systems include the smallest superconducting junctions which…

Superconductivity · Physics 2007-05-23 J. G. Rodrigo , H. Suderow , S. Vieira , E. Bascones , F. Guinea

Comprehensive study using DC transport, specific heat, magnetization, and two-coil mutual inductance measurements unveils an understanding of three temperature regimes in SmB$_6$: (i) $T \geq T^{*}$ ($\sim66$K), (ii) $T_g$ ($\sim40$ K)…

Strongly Correlated Electrons · Physics 2025-11-11 Sayantan Ghosh , Sugata Paul , Tamoghna Chattoraj , Ritesh Kumar , Zachary Fisk , S. S. Banerjee

Scanning tunneling microscopy is the method of choice for characterizing charge density waves by imaging the variation in atomic-scale contrast of the surface. Due to the measurement principle of scanning tunneling microscopy, the…

A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…

Materials Science · Physics 2009-10-28 O. Gulseren , R. James , D. W. Bullett

We study the transport properties of the Kondo insulator SmB$_6$ with a specialized configuration designed to distinguish bulk-dominated conduction from surface-dominated conduction. We find that as the material is cooled below 4 K, it…

Strongly Correlated Electrons · Physics 2013-12-03 Steven Wolgast , Cagliyan Kurdak , Kai Sun , J. W. Allen , Dae-Jeong Kim , Zachary Fisk

The technique of spin-polarized scanning tunneling microscopy is investigated for its use in determining fine details of surface magnetic structure down to the atomic scale. As a model sample, the row-wise anti-ferromagnetic Mn3N2(010)…

Materials Science · Physics 2009-11-11 Rong Yang , Haiqiang Yang , Arthur R. Smith , Alexey Dick , Jorg Neugebauer

Square-tiled surfaces are a class of translation surfaces that are of particular interest in geometry and dynamics because, as covers of the square torus, they share some of its simplicity and structure. In this paper, we study counting…

Geometric Topology · Mathematics 2019-05-03 Sunrose T. Shrestha , Jane Wang

Scanning tunneling microscopes (STM) are used extensively for studying and manipulating matter at the atomic scale. In spite of the critical role of the STM tip, the control of the atomic-scale shape of STM tips remains a poorly solved…

Mesoscale and Nanoscale Physics · Physics 2017-12-11 Sumit Tewari , Koen M. Bastiaans , Milan P. Allan , Jan M. van Ruitenbeek

Topological Kondo insulators are a new class of topological insulators in which metallic surface states protected by topological invariants reside in the bulk band gap at low temperatures. Unlike other three-dimensional topological…

Strongly Correlated Electrons · Physics 2016-07-12 N. Xu , H. Ding , M. Shi