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We present a unified bond dipole theory for metal-semiconductor interfaces to explain the microscopic origin of interface dipoles and Fermi level pinning (FLP) in terms of Harrison's bond-orbital model. By combining first-principles…

材料科学 · 物理学 2025-11-27 Ziying Xiang , Jun-Wei Luo , Shu-Shen Li

The physical origin of Fermi level pinning (FLP) at metal/Ge interfaces has been argued over a long period. Using the Fe$_{3}$Si/Ge(111) heterostructure developed originally, we can explore electrical transport properties through atomically…

介观与纳米尺度物理 · 物理学 2012-01-31 K. Kasahara , S. Yamada , K. Sawano , M. Miyao , K. Hamaya

Thicknesses-dependent performance of metal-two-dimensional (2D) semiconductor junctions (MSJ) in electronics/optoelectronics have attracted increasing attention, but till present, people have little knowledge about the micro-mechanism of…

材料科学 · 物理学 2019-11-01 Qian Wang , Yangfan Shao , Penglai Gong , Xingqiang Shi

We report the synthesis and characterization of molecular rectifying diodes on silicon using sequential grafting of self-assembled monolayers of alkyl chains bearing a pi group at their outer end (Si/sigma-pi/metal junctions). We…

Metal contacts to two-dimensional (2D) semiconductors are ubiquitous in modern electronic and optoelectronic devices. Such contacts are, however, often plagued by strong Fermi level pinning (FLP) effect which reduces the tunability of the…

In 2D-semiconductor-based field-effect transistors and optoelectronic devices, metal-semiconductor junctions are one of the crucial factors determining device performance. The Fermi-level (FL) pinning effect, which commonly caused by…

The problem of Fermi-level pinning at semiconductor-metal contacts is readdressed starting from first-principles calculations for Al/GaAs. We give quantitative evidence that the Schottky barrier height is very little affected by any…

材料科学 · 物理学 2009-10-30 Alice Ruini , Raffaele Resta , Stefano Baroni

We identify a universality in the Fermi level change of Van der Waals interacting semiconductor interfaces-based Schottky junctions. We show that the disappearing of quasi-Fermi level pinning at a certain thickness of semiconductor films…

材料科学 · 物理学 2022-02-22 Jinpeng Yang , Nobuo Ueno

Two-dimensional (2D) tin monoxide (SnO) has attracted much attention owing to its distinctive electronic and optical properties, which render itself suitable as a channel material in field effect transistors (FETs). However, upon contact…

材料科学 · 物理学 2023-08-31 Yujia Tian , Devesh R. Kripalani , Ming Xue , Kun Zhou

We investigate the mutual proximity effect in a normal metal contacted to a superconductor through a magnetic interface. Analytical and self-consistent numerical results are presented, and we consider both the diffusive and ballistic…

超导电性 · 物理学 2015-05-18 Jacob Linder , Asle Sudbø , Takehito Yokoyama , Roland Grein , Matthias Eschrig

We present ab-initio local density FLAPW calculations on non-reactive N-terminated [001] ordered GaN/Ag and GaN/Au interfaces and compare the results (such as metal induced gap states and Schottky barrier heights) with those obtained for…

材料科学 · 物理学 2009-10-31 S. Picozzi , A. Continenza , G. Satta , S. Massidda , A. J. Freeman

Strong Fermi level pinning (FLP) - often attributed to metal-induced gap states at the interfacial contacts - severely reduces the tunability of the Schottky barrier height of the junction and limits applications of the 2D materials in…

应用物理 · 物理学 2022-08-16 Cunzhi Sun , Cheng Xiang , Rongdun Hong , Feng Zhang , Timothy J. Booth , Peter Bøggild , Manh-Ha Doan

We report measurements and calculations on the properties of the intermetallic compound Be$_5$Pt. High-quality polycrystalline samples show a nearly constant temperature dependence of the electrical resistivity over a wide temperature…

Two-dimensional (2D) semiconductors have shown great promise in (opto)electronic applications. However, their developments are limited by a large Schottky barrier (SB) at the metal-semiconductor junction (MSJ), which is difficult to tune by…

介观与纳米尺度物理 · 物理学 2016-04-26 Yuanyue Liu , Paul Stradins , Su-Huai Wei

A series of calculations on MgB2 and related isoelectronic systems indicates that the layer of Mg(2+) ions lowers the non-bonding B "pi" (p_z) bands relative to the bonding "sigma" (sp_xp_y) bands compared to graphite, causing sigma --> pi…

超导电性 · 物理学 2009-11-07 J. M. An , W. E. Pickett

P-type doped CdTe free surfaces Schottky contacts, and even interfaces with isostructural p-ZnTe frequently exhibit downward band bending and moderate to high recombination velocities. Fermi level pinning by donor-like states can explain…

We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…

材料科学 · 物理学 2015-06-24 Pierre Carrier , Laurent J. Lewis , M. W. Chandre Dharma-wardana

First-principles calculations of polar semiconductor nanorods reveal that their dipole moments are strongly influenced by Fermi level pinning. The Fermi level for an isolated nanorod is found to coincide with a significant density of…

介观与纳米尺度物理 · 物理学 2012-06-08 Philip W. Avraam , Nicholas D. M. Hine , Paul Tangney , Peter D. Haynes

The physical properties of the semiconductor FeSi with very narrow band gap, anomalous behavior of the magnetic susceptibility and metal-insulator transition at elevated temperatures attract gross interest due to the still controversial…

强关联电子 · 物理学 2018-09-26 Sergii Khmelevskyi , Georg Kresse , Peter Mohn

In order to search for states specific to insulator/metal interfaces, we have studied epitaxially grown interfaces with element-selective near edge X-ray absorption fine structure (NEXAFS). An extra peak is observed below the bulk edge…

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