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Many-Body Quantum Monte Carlo Study of 2D Materials: Cohesion and Band Gap in Single-Layer Phosphorene

Frank, T., Derian, R., Tokár, K., Mitas, L., Fabian, J. and Štich, I. (2019) Many-Body Quantum Monte Carlo Study of 2D Materials: Cohesion and Band Gap in Single-Layer Phosphorene. Physical Review X 9 (1), 011018-1-011018-8.

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Date of publication of this fulltext: 06 Feb 2019 10:27

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Other URL: http://doi.org/10.1103/PhysRevX.9.011018


Abstract

The quantum Monte Carlo (QMC) method is applied to obtain the fundamental (quasiparticle) electronic band gap Δf of a semiconducting two-dimensional phosphorene whose optical and electronic properties fill the void between graphene and 2D transition-metal dichalcogenides. Similarly to other 2D materials, the electronic structure of phosphorene is strongly influenced by reduced screening, making ...

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Item type:Article
Date:30 January 2019
Institutions:Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian
Projects:Open Access Publizieren (DFG)
Identification Number:
ValueType
10.1103/PhysRevX.9.011018DOI
Dewey Decimal Classification:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:38305
Owner only: item control page

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