Electronic stopping power in a narrow band gap semiconductor from first principles
نویسندگان
چکیده
Rafi Ullah,1,* Fabiano Corsetti,1 Daniel Sánchez-Portal,2,3 and Emilio Artacho1,3,4,5 1CIC nanoGUNE, Ave. Tolosa 76, 20018 Donostia-San Sebastián, Spain 2Centro de Fı́sica de Materiales CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián, Spain 3Donostia International Physics Center, Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián, Spain 4Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom 5Basque Foundation for Science Ikerbasque, Bilbao, Spain (Received 23 October 2014; revised manuscript received 11 February 2015; published 11 March 2015)
منابع مشابه
A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach
The Mg(BiO2)2 is the orthorhombic crystal system acting as semiconductor in electric devices. To evaluate electronic band structures, the total density of state (TDOS) and the partial density of state (PDOS), Generalized Gradient Approximation (GGA) based on the Perdew–Burke–Ernzerhof (PBE0) was used for Mg(BiO2)2. The band gap was recorded at 0.959 eV, which is supported by a good semiconducto...
متن کاملStructure and electronic properties of single–walled zigzag BN and B3C2N3 nanotubes using first-principles methods
The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...
متن کاملStructure and electronic properties of single–walled zigzag BN and B3C2N3 nanotubes using first-principles methods
The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...
متن کاملSimple Synthesis of In2S3 Nanoparticles and their Application as Co-sensitizer to Improve Energy Conversion of DSSCs
This paper describes synthesis of In2S3 nanoparticles by sonochemistry method and their application to enhance solar cells performance which In2S3 nanoparticles work as co-sensitizer for the first time. In2S3 is a narrow band gap semiconductor (2 eV) with conduction band higher than TiO2. Therefore it can transfer electron to the conduction band of TiO2. The effect of different parameters such ...
متن کاملFirst-Principles Study of Structure, Electronic and Optical Properties of HgSe in Zinc Blende (B3) Phase
In this paper, the structural parameters, energy bands structure, density ofstates and charge density of HgSe in the Zincblende(B3) phase have been investigated.The calculations have been performed using the Pseudopotential method in theframework of density functional theory (DFT) by Quantum Espresso package. Theresults for the electronic density of states (DOS) show tha...
متن کامل