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We report first-principles density-functional pseudopotential calculations on the atomic structures, electronic properties, and band offsets of BaO/BaTiO$_3$ and SrO/SrTiO$_3$ nanosized heterojunctions grown on top of a silicon substrate.…

材料科学 · 物理学 2009-11-07 Javier Junquera , Magali Zimmer , Pablo Ordejon , Philippe Ghosez

Angle-resolved photoemission spectroscopy (ARPES) is a powerful technique for the study of electronic structure, but it lacks a direct ability to study buried interfaces between two materials. We address this limitation by combining ARPES…

Even though the term `organic electronics' evokes rather organic devices, a significant part of its scope deals with physical properties of `active elements' such as organic films and interfaces. Examination of the film growth and the…

材料科学 · 物理学 2014-06-03 Ján Ivančo

The electronic band structure of complex nanostructured semiconductors has a considerable effect on the final electronic and optical properties of the material and, ultimately, on the functionality of the devices incorporating them. Valence…

The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study the electronic structure of InAs(001), InAs(111), and…

High resolution angle-resolved photoemission measurements have been carried out on (Sr,K)Fe$_2$As$_2$ superconductor (Tc=21 K). Three hole-like Fermi surface sheets are clearly resolved for the first time around the Gamma point. The overall…

Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…

超导电性 · 物理学 2022-09-13 Xiaobo Ma , Guangwei Wang , Rui Liu , Tianye Yu , Yiran Peng , Pengyu Zheng , Zhiping Yin

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 develop a generalized theory for the scattering process produced by interface roughness on charge carriers and which is suitable for any semiconductor heterostructure. By exploiting our experimental insights into the three-dimensional…

Supercells are often used in ab initio calculations to model compound alloys, surfaces and defects. One of the main challenges of supercell electronic structure calculations is to recover the Bloch character of electronic eigenstates…

材料科学 · 物理学 2014-09-12 O. Rubel , A. Bokhanchuk , S. J. Ahmed , E. Assmann

We argue that the experimentally easily accessible optical absorption spectrum can often be used to distinguish between a random alloy phase and a stoichiometrically equivalent core/shell realization of ensembles of monodisperse colloidal…

化学物理 · 物理学 2017-09-13 Daniel Mourad

Boron aluminum nitride (B$_x$Al$_{1-x}$N) is a promising material for next-generation electronic and optoelectronic devices due to its ultra-wide bandgap, high thermal stability, and compatibility with other III-nitride semiconductors.…

材料科学 · 物理学 2025-12-02 Cody L Milne , Arunima K Singh

Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate…

材料科学 · 物理学 2017-05-05 Elena Kubyshkina , Mikael Unge , B. L. G. Jonsson

Photonic flat bands are crucial for enabling strong localization of light and enhancing light-matter interactions, as well as tailoring the angular distribution of emission from photonic structures. These unique properties open pathways for…

Efficient beam alignment is a crucial component in millimeter wave systems with analog beamforming, especially in fast-changing vehicular settings. This paper proposes a position-aided approach where the vehicle's position (e.g., available…

信息论 · 计算机科学 2017-09-19 Vutha Va , Junil Choi , Takayuki Shimizu , Gaurav Bansal , Robert W. Heath

Van der Waals materials exhibit naturally passivated surfaces and can form versatile heterostructures, enabling observation of carrier transport mechanisms not seen in three-dimensional materials. Here we report observation of a "band…

In this paper, we studied the problem of beam alignment for millimeter wave (mmWave) communications, in which we assume a hybrid analog and digital beamforming structure is employed at the transmitter (i.e. base station), and an…

信息论 · 计算机科学 2019-09-04 Xingjian Li , Jun Fang , Huiping Duan , Zhi Chen , Hongbin Li

IV-VI semiconductor SnSe has been known as the material with record high thermoelectric performance.The multiple close-to-degenerate valence bands in the electronic band structure has been one of the key factors contributing to the high…

We present a novel approach to study the spin and symmetry electronic properties of buried interfaces using low-energy spin-resolved photoemission spectroscopy. We show that this method is sensitive to interfaces buried below more than 20ML…

Optical metasurfaces have enabled high-speed, low-power image processing within a compact footprint. However, reconfigurable imaging in such flat devices remains a critical challenge for fully harnessing their potential in practical…

光学 · 物理学 2025-02-25 Tingting Liu , Jumin Qiu , Tianbao Yu , Qiegen Liu , Jie Li , Shuyuan Xiao