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First-principles calculations were performed, and the results from the study of structural, electronic and elastic properties of zincblende III-arsenide binary compounds (BAs, AlAs, GaAs and InAs) are presented. These properties have been…

Materials Science · Physics 2019-11-28 Umang Agarwal , Satish Chandra , Virendra Kumar

We present a study of mechanical, electronic and magnetic properties of two dimensional (2D), monolayer of silicon carbide (SiC) in honeycomb structure and its quasi 1D armchair nanoribbons using first-principles plane wave method. In order…

Materials Science · Physics 2010-03-08 E. Bekaroglu , M. Topsakal , S. Cahangirov , S. Ciraci

We have performed an x-ray holotomography study of a three-dimensional (3D) photonic band gap crystal. The crystals was made from silicon by CMOS-compatible methods. We manage to obtain the 3D material density throughout the fabricated…

Other Condensed Matter · Physics 2018-08-08 W. L. Vos , D. A. Grishina , P. Cloetens , C. A. M. Harteveld , P. W. H. Pinkse

Gallium oxide (Ga2O3) is a wide-band-gap semiconductor promising for UV sensors and high power transistor applications, with Baliga's figure of merit that far exceeds those of GaN and SiC, second only to diamond. Engineering its band…

Materials Science · Physics 2019-06-04 Fernando P. Sabino , Xuefen Cai , Su-Huai Wei , Anderson Janotti

Structural, electronic, ferroelectric, and optical properties of two-dimensional (2D) BiN monolayer material with phosphorene-like structure are studied in terms of the density functional theory and modern Berry phase ferroelectric method.…

Materials Science · Physics 2017-11-28 Peng Chen , Xue-Jing Zhang , Bang-Gui Liu

Acoustic metamaterials offer exceptional control over wave propagation, but their potential remains unfulfilled due to fabrication constraints. Conventional processes yield mostly rigid, planar structures, whereas soft-matter alternatives…

Soft Condensed Matter · Physics 2026-02-03 Thomas Daunizeau , David Gueorguiev , Vincent Hayward , Allison Okamura , Sinan Haliyo

In two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), new electronic phenomena such as tunable band gaps and strongly bound excitons and trions emerge from strong many-body effects, beyond spin-orbit coupling- and…

We investigate the impact of monoatomic vacancies in 2D materials on the performance of magnetic tunnel junction (MTJ) devices using first-principles calculations within Density Functional Theory (DFT). Specifically, we analyze the…

We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show…

The exploration for novel two-dimensional (2D) materials with diverse electronic characteristics has attracted growing interest in recent years. Using density functional theory (DFT) calculations, we have predicted a new family of 2D…

Materials Science · Physics 2025-05-06 Yasin Yekta , Hamidreza Ramezani , Hanif Hadipour , Seyed Akbar Jafari

The rise of atomically thin materials has the potential to enable a paradigm shift in modern technologies by introducing multi-functional materials in the semiconductor industry. To date the growth of high quality atomically thin…

MX monopnictide compounds (M=Nb,Ta, X = As,P) are prototypical three-dimensional Weyl semimetals (WSMs) that have been shown in bulk single crystal form to have potential for a wide variety of novel devices due to topologically protected…

The interconnect half-pitch size will reach ~20 nm in the coming sub-5 nm technology node. Meanwhile, the TaN/Ta (barrier/liner) bilayer stack has to be > 4 nm to ensure acceptable liner and diffusion barrier properties. Since TaN/Ta occupy…

Dynamic control of conductivity and optical properties via atomic structure changes is of tremendous technological importance in information storage. Energy consumption considerations provide a driving force toward employing thin materials…

Materials Science · Physics 2016-02-16 Yao Li , Karel-Alexander N. Duerloo , Kerry Wauson , Evan J. Reed

Atomic-scale ferroelectric thin films hold great promise for high-density, low-power applications but face stability and voltage scaling challenges at extreme thinness. Here, we demonstrate ferroelectricity in single-crystalline…

Materials Science · Physics 2025-06-27 Tong Jiang , Han Chen , Yubo Yuan , Xiang Xu , Junwei Cao , Hao Wang , Xuechun Sun , Junshuai Li , Yaqing Ma , Huaze Zhu , Wenbin Li , Wei Kong

Previous band structure calculations predicted Ag3AuSe2 to be a semiconductor with a band gap of approximately 1 eV. Here, we report single crystal growth of Ag3AuSe2 and its transport and optical properties. Single crystals of Ag3AuSe2…

Atomically thin layered two-dimensional materials, including transition-metal dichacolgenide (TMDC) and black phosphorus (BP), (1) have been receiving much attention, because of their promising physical properties and potential applications…

Materials Science · Physics 2016-02-17 Qi Feng , Faguang Yan , Wengang Luo , Kaiyou Wang?

The development of semiconductor electronics is shortly reviewed, beginning with the development of germanium devices (band gap $E_g=0.66$ eV) after world war II. Quickly a tendency to alternative materials with wider band gap became…

Materials Science · Physics 2017-11-06 D. Klimm

Three new novel phases of carbon nitride (CN) bilayer, which are named as \alpha-C$_{2}$N$_{2}$, \beta-C$_{2}$N$_{2}$ and \gamma-C$_{4}$N$_{4}$, respectively, have been predicted in this paper. All of them are consisted of two CN sheets…

Materials Science · Physics 2019-02-01 Wanxing Lin , Shi-Dong Liang , Chunshan He , Wucheng Xie , Haiying He , Quanxiang Mai , Jiesen Li , D. X. Yao

Two dimensional electron gases (2DEGs) at a oxide heterostructures are attracting considerable attention, as these might substitute conventional semiconductors for novel electronic devices [1]. Here we present a minimal set-up for such a…

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