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Absolute deformation potentials of two-dimensional materials

Publications associées (63)

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We performed density functional calculations aimed at identifying the atomistic and electronic structure origin of the valence and conduction band, and band gap tunability of halide perovskites ABX(3) upon variations of the monovalent and bivalent cations ...

2016

Ab initio Electronic Structure of Liquid Water

Alfredo Pasquarello, Wei Chen, Giacomo Francesco Leonardo Miceli, Francesco Ambrosio

Self-consistent GW calculations with efficient vertex corrections are employed to determine the electronic structure of liquid water. Nuclear quantum effects are taken into account through ab initio path-integral molecular dynamics simulations. We reveal a ...

American Physical Society2016

Organic and inorganic lead halogen perovskites, and in particular, CH3NH3PbI3, have during the last years emerged as a class of highly efficient solar cell materials. Herein we introduce metalorganic halogen perovskite materials for energy-relevant applica ...

Amer Physical Soc2016

Vacuum ultraviolet excitation luminescence spectroscopy of few-layered MoS2

Andras Kis, Daria Krasnozhon, Wei Cao

We report on vacuum ultraviolet (VUV) excited photoluminescence (PL) spectra emitted from a chemical vapor deposited MoS2 few-layered film. The excitation spectrum was recorded by monitoring intensities of PL spectra at similar to 1.9 eV. A strong wide exc ...

Institute of Physics2016

Band-to-band tunneling distance analysis in the heterogate electron-hole bilayer tunnel field-effect transistor

Mihai Adrian Ionescu, Cem Alper, José Luis Padilla de la Torre

In this work, we analyze the behavior of the band-to-band tunneling distance between electron and hole subbands resulting from field-induced quantum confinement in the heterogate electron-hole bilayer tunnel field-effect transistor. We show that, analogous ...

Amer Inst Physics2016

Electronic properties of transition-metal dichalcogenides

Andras Kis

Graphene is not the only prominent example of two-dimensional (2D) materials. Due to their interesting combination of high mechanical strength and optical transparency, direct bandgap and atomic scale thickness transition-metal dichalcogenides (TMDCs) are ...

Cambridge Univ Press2015

Efficient quantum mechanical simulation of band-to-band tunneling

Mihai Adrian Ionescu, Cem Alper, José Luis Padilla de la Torre, Pierpaolo Palestri

In this work, we extend an already existing simulator for tunnel FETs to fully take into account nonparabolicity (NP) of the conduction band in all aspects, namely the wave-function (WF) and density of states (DOS) corrections for both charge and BTBT curr ...

IEEE2015

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In this work we extend an effective mass model for computing the drain current of tunnel-FETs to account for the anti-crossing of the light- and heavy-hole branches of the valence band. The model is validated by comparison with NEGF simulations based on a ...

IEEE2015

Atomic Scale Microstructure and Properties of Se-Deficient Two-Dimensional MoSe2

Andras Kis, Oleg Yazyev, Hannu-Pekka Komsa, Ming-Wei Chen, Artem Pulkin

We study the atomic scale microstructure of non-stoichiometric two-dimensional(2D) transition metal dichalcogenide MoSe2-x, by employing aberration-corrected high-resolution transmission electron microscopy. We show that a Se-deficit in single layers of Mo ...

Amer Chemical Soc2015

Bi2Te3-xSex series studied by resistivity and thermopower

László Forró, Ana Akrap

We study the detailed temperature and composition dependence of the resistivity, rho(T), and thermopower, S(T), for a series of layered bismuth chalcogenides Bi2Te3-xSex, and report the stoichiometry dependence of the optical band gap. In the resistivity o ...

Epl Association, European Physical Society2014