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Bi2Se3 and Bi2Te3 are layered compounds of technological importance, being excellent thermoelectric materials as well as topological insulators. We report density functional theory calculations of the atomic, electronic and thermoelectric…

Materials Science · Physics 2013-08-08 Xin Luo , Michael B. Sullivan , Su Ying Quek

A large anomalous Hall effect (AHE) has been observed in ferromagnetic $\textrm{Fe}_3\textrm{Sn}_2$ with breathing kagome bilayers. To understand the underlying mechanism for this, we investigate the electronic structure of…

Composite light-trapping structures offer a promising approach to achieving broadband absorption and high efficiency in thin-film solar cells (TFSCs) in order to accelerate sustainable energy solutions. As the leading material in thin-film…

Structurally chiral materials hosting multifold fermions with large topological number have attracted considerable attention because of their naturally long surface Fermi arcs and bulk quantized circular photogalvanic effect (CPGE).…

Materials Science · Physics 2019-12-25 Yang Zhang , Fernando de Juan , Adolfo G. Grushin , Claudia Felser , Yan Sun

Using angle-resolved photoemission spectroscopy (ARPES), we studied bulk and surface electronic band structures of narrow-gap semiconductor lead telluride (PbTe) thin films grown by molecular beam epitaxy both perpendicular and parallel to…

Materials Science · Physics 2017-04-26 Zhenyu Ye , Shengtao Cui , Tianyu Shu , Songsong Ma , Yang Liu , Zhe Sun , Jun-Wei Luo , Huizhen Wu

The electronic, thermal and optical properties of a monolayer BeO with Boron (B) and Nitrogen (N) co-dopant atoms are studied by means of a density functional theory computation. Our calculations reveal that BeO with BN-codopant atoms can…

Materials Science · Physics 2022-01-07 Nzar Rauf Abdullah , Botan Jawdat Abdullah , Vidar Gudmundsson

Photogalvanic effect (PGE) occurs in materials with non-centrosymmetric structures when irradiated by linearly or circularly polarized light. Here, using non-equilibrium Green's function combined with density functional theory (NEGF-DFT),…

Materials Science · Physics 2023-05-26 Li-Wen Zhang , Ya-Qing Yang , Jun Chen , Lei Zhang

Element semiconductor Te is very popular in both fundamental electronic structure study, and device fabrication research area due to its unique band structure. Specifically, in low temperatures, Te possesses strong quantum oscillations with…

We have grown germanium selenide (GeSe) triangular nanoplate arrays (TNAs) with a high density (3.82E+6 / mm2) on the Si (111) substrate using a simple thermal evaporation method. The thickness and trilateral lengths of a single triangular…

Mesoscale and Nanoscale Physics · Physics 2020-01-03 Xueyan Li , Xi Zhang , Xiaowei Lv , Jun Pang , Li Lei , Yong Liu , Yong Peng , Gang Xiang

In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bethe-Salpeter equation (BSE) formalism to investigate…

Remarkable optical and electrical properties of two-dimensional (2D) materials, such as graphene and transition-metal dichalcogenide (TMDC) monolayers, offer vast technological potential for novel and improved optoelectronic nanodevices,…

Optics · Physics 2016-07-22 Martin Weismann , Nicolae C. Panoiu

High quality WSe2 films have been grown on bilayer graphene (BLG) with layer-by-layer control of thickness using molecular beam epitaxy (MBE). The combination of angle-resolved photoemission (ARPES), scanning tunneling…

The ongoing demand for more energy-efficient, high-performance electronics is driving the exploration of innovative materials and device architectures, where interfaces play a crucial role due to the continuous downscaling of device…

Applied Physics · Physics 2024-12-06 Chang Niu , Linjia Long , Yizhi Zhang , Zehao Lin , Pukun Tan , Jian-Yu Lin , Wenzhuo Wu , Haiyan Wang , Peide D. Ye

Two-dimensional (2D) InSe and WS$_2$ exhibit promising characteristics for optoelectronic and photoelectrochemical applications, e.g. photodetection and photocatalytic water splitting. However, both of them have poor absorption of visible…

Integrating 2D materials onto on-chip photonic devices holds significant potential for nonlinear frequency conversion across various applications. The lack of inversion symmetry in monolayers of transition metal dichalcogenides (TMDs),…

This work studies the effect of four different types of buffer layers on the structural and optical properties of InGaN layers grown on Si(111) substrates and their correlation with electrical characteristics. The vertical electrical…

Two-dimensional transition metal dichalcogenides (TMDs) represent an ideal testbench for the search of materials by design, because their optoelectronic properties can be manipulated through surface engineering and molecular…

We report about the experimental observation and characterization of nonlinear optical properties of individual silicon nanowires of different dimensions. Our results show that the nonlinear light has different components, one of them…

Mesoscale and Nanoscale Physics · Physics 2017-04-13 Peter R. Wiecha , Arnaud Arbouet , Houssem Kallel , Priyanka Periwal , Thierry Baron , Vincent Paillard

Effects that are not captured by the generalized-gradient density-functional theory play a prominent effect on the structural binding, and on the electronic and optical properties of reduced-dimensional and weakly-bound materials. Here, we…

Mesoscale and Nanoscale Physics · Physics 2018-07-16 Eesha Andharia , Thaneshwor P. Kaloni , Gregory J. Salamo , Shui-Qing Yu , Hugh O. H. Churchill , Salvador Barraza-Lopez

We present a comprehensive tensorial characterization of second-harmonic generation from silicon nitride films with varying composition. The samples were fabricated using plasma-enhanced chemical vapor deposition, and the material…