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Tuning two dimensional nanomaterial's structural and electronic properties has facilitated the new research paradigm in electronic device applications. In this work, the first principles density functional theory based methods are used to…

材料科学 · 物理学 2021-04-30 Rameshwar L. Kumawat , Biswarup Pathak

Based on extensive first principle calculations, we explore the thickness dependent effective di- electric constant and slab polarizability of few layer black phosphorene. We find that the dielectric constant in ultra-thin phosphorene is…

介观与纳米尺度物理 · 物理学 2016-06-08 Piyush Kumar , B. S. Bhadoria , Sanjay Kumar , Somnath Bhowmick , Yogesh Singh Chauhan , Amit Agarwal

We demonstrated theoretically that the renormalization of the electron energy spectrum near the Dirac point of graphene by a strong high-frequency electromagnetic field (dressing field) drastically depends on polarization of the field.…

介观与纳米尺度物理 · 物理学 2016-02-04 K. Kristinsson , O. V. Kibis , S. Morina , I. A. Shelykh

Graphene has an extremely high carrier mobility partly due to its planar mirror symmetry inhibiting scattering by the highly occupied acoustic flexural phonons. Electrostatic gating of a graphene device can break the planar mirror symmetry…

介观与纳米尺度物理 · 物理学 2017-02-01 Tue Gunst , Kristen Kaasbjerg , Mads Brandbyge

We study the effect of uniaxial strain on the transmission and the conductivity across a strain-induced barrier in graphene. At variance with conventional studies, which consider sharp barriers, we consider a more realistic, smooth barrier,…

介观与纳米尺度物理 · 物理学 2012-05-08 F. M. D. Pellegrino , G. G. N. Angilella , R. Pucci

The anisotropy in resonant tunneling transport through an electrostatic barrier in mono layer black phosphorus either in presence or in absence of an oscillating potential is studied. Non-perturbative Floquet theory is applied to solve the…

介观与纳米尺度物理 · 物理学 2020-12-09 R. Biswas , C. Sinha

We present anisotropic, zero applied magnetic field, temperature dependent resistivity measurements on hexagonal, non-magnetic, YPtIn and LuAgGe single crystals. For these materials the in-plane resistivity, $\rho_{ab}$, is significantly…

材料科学 · 物理学 2009-11-11 G. D. Samolyuk , S. L. Bud'ko , E. Morosan , V. P. Antropov , P. C. Canfield

We apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…

介观与纳米尺度物理 · 物理学 2017-01-27 Moslem Zare , Babak Zare Rameshti , Farnood G. Ghamsari , Reza Asgari

This work investigates the effect of the uniaxial strain on the tunneling conductance in a strained graphene superconductor where strain is applied in the armchair direction. Based on the Tight-Binding model, applying strain in the armchair…

超导电性 · 物理学 2010-09-24 Bumned Soodchomshom

The interplay of strain engineering and photon-assisted tunneling of electrons in graphene is considered for giving rise to atypical transport phenomena. The combination of uniaxial strain and a time-periodic potential barrier helps to…

介观与纳米尺度物理 · 物理学 2021-05-05 Yonatan Betancur-Ocampo , Parisa Majari , Diego Espitia , Francois Leyvraz , Thomas Stegmann

We performed a first-principles study of the electronic behavior of a 2D hexagonal boron phosphide monolayer (2D-h-BP). The system was deformed isotropically by applying a simultaneous tensile strain along the a and b crystal axes. We…

Artificial monolayer black phosphorus, the so-called phosphorene has attracted global interest with its distinguished anisotropic optoelectronic and electronic properties. Here, we unraveled the shear-induced direct to indirect gap…

材料科学 · 物理学 2015-05-14 Baisheng Sa , Yan-Ling Li , Zhimei Sun , Jingshan Qi , Cuilian Wen , Bo Wu

Using density functional tight-binding theory, we investigated the elastic properties and deformation and failure behaviors of pristine and defective carbon-phosphide (CP) monolayers subjected to uniform uniaxial tensile strain along…

材料科学 · 物理学 2018-09-26 V. Sorkin , Y. W. Zhang

After deriving a general correspondence between linear response correlation functions in graphene with and without applied uniaxial strain, we study the dependence on the strain modulus and direction of selected electronic properties, such…

介观与纳米尺度物理 · 物理学 2011-11-04 F. M. D. Pellegrino , G. G. N. Angilella , R. Pucci

We study electronic transport in graphene nanoribbons with rough edges. We first consider a model of weak disorder that corresponds to an armchair ribbon whose width randomly changes by a single unit cell size. We find that in this case,…

介观与纳米尺度物理 · 物理学 2013-05-29 Ivar Martin , Ya. M. Blanter

An odd number of zigzag edges in armchair graphene nanoribbons and their mechanical properties (e.g., Young's modulus, Poisson ratio and shear modulus) have potential interest for bandgap engineering in graphene based optoelectronic…

介观与纳米尺度物理 · 物理学 2019-01-04 Sanjay Prabhakar , Roderick Melnik

We study electron transport in a strained graphene sheet subjected to a sequence of $N$ electrostatic and magnetic barriers. Employing a modified and improved transfer-matrix framework, we examine how the transmission and reflection…

Using hybrid density functional calculations including spin-orbit coupling, we compute the strain evolution of the band structure of monolayer 1H-phase transition-metal dichalcogenides, MX$_2$ (M= Mo, W; X= S, Se, Te), emphasizing an…

We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…

介观与纳米尺度物理 · 物理学 2018-08-14 Shiang Fang , Stephen Carr , Miguel A. Cazalilla , Efthimios Kaxiras

We analyze, using first-principles calculations and the method of invariants, the spin-orbit proximity effects in trilayer heterostructures comprising phosphorene and encapsulating WSe$_2$ monolayers. We focus on four different…

介观与纳米尺度物理 · 物理学 2024-02-29 Marko Milivojević , Martin Gmitra , Marcin Kurpas , Ivan Štich , Jaroslav Fabian