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==Short Description==
 
==Short Description==
[[File:Monolayer phosphorene.jpg|300px|thumb|Perspective side view of a mono-layer of black phosphorus.]]
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The  goal  of   the  project  is  to  develop  methods  and  try  new  materials  when  modeling  2D  heterostructures  forquantum transport simulations, specifically focusing on how we can efficiently use DFT tools to simulate van derWaals heterostructures and semiconductor-oxide interfaces. By the end you should be able to model a materialinterface and characterize it using quantum transport. Single-layer 2-D materials and van der Waals heterostructures made of transition metal dichalcogenides such asMoS2 has proven to be viable candidates for future generations of transistor devices, enabling device scaling tonew  extremes. However, the  huge  number  of  possible material  combinations  to  explore makes  computationalmodeling necessary. We therefore aim to develop new efficient methods to explore these materials.
[[File:Bilayer TFET.jpg|300px|thumb| Schematic view of hetero-bilayer TFET.]]
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Mono-layer, so-called two-dimensional (2D), materials with a tunnelable band gap, e.g. phosphorene, are becoming very promising for potentially device applications. Tunnel field-effect transistors (TFETs) are expected to give rise to a new generation of low-power consumption logic switches. To date, TFETs are being investigated and built from conventional semiconductors, less often from 2D materials. Your task is from first-principles to characterize/study 2D-material-based TFETs, e.g. hetero-bilayer TFETs. The 2D Materials can be defined starting the project according to the student interest.
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The  work  will  manly  consist  of   understanding  and  performing  DFT  calculations  using  tools  such  as  QuantumEspresso and VASP, but also writing code to prepare and process simulations. The generated material systemswill  be   analyzed  using  quantum  transport  tools.  To  do  all  this,  you  have  access  to   our  group's  impressivecomputational cluster. We are seeking a candidate with a strong interest in device physics and physical simulations. Basic programmingskills, for example in Python or MATLAB, are required together with a fundamental knowledge of quantum andsemiconductor physics. Experience with DFT simulations and quantum transport are advantageous
  
 
===Status: Available ===
 
===Status: Available ===
: Looking for 1 Master student in Electrical Engineering, Physics, Computer Science or related fields
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: Looking for 1 semester student  
: Contact: [https://www.nano-tcad.ethz.ch/en/general-information/people/overview/uid/7173.html Hamilton Carrillo-Nunez]
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: Contact: Jonathan Backman jbackman@iis.ee.ethz.ch
  
 
===Prerequisites===
 
===Prerequisites===

Revision as of 16:07, 3 September 2019

Short Description

The goal of the project is to develop methods and try new materials when modeling 2D heterostructures forquantum transport simulations, specifically focusing on how we can efficiently use DFT tools to simulate van derWaals heterostructures and semiconductor-oxide interfaces. By the end you should be able to model a materialinterface and characterize it using quantum transport. Single-layer 2-D materials and van der Waals heterostructures made of transition metal dichalcogenides such asMoS2 has proven to be viable candidates for future generations of transistor devices, enabling device scaling tonew extremes. However, the huge number of possible material combinations to explore makes computationalmodeling necessary. We therefore aim to develop new efficient methods to explore these materials.

The work will manly consist of understanding and performing DFT calculations using tools such as QuantumEspresso and VASP, but also writing code to prepare and process simulations. The generated material systemswill be analyzed using quantum transport tools. To do all this, you have access to our group's impressivecomputational cluster. We are seeking a candidate with a strong interest in device physics and physical simulations. Basic programmingskills, for example in Python or MATLAB, are required together with a fundamental knowledge of quantum andsemiconductor physics. Experience with DFT simulations and quantum transport are advantageous

Status: Available

Looking for 1 semester student
Contact: Jonathan Backman jbackman@iis.ee.ethz.ch

Prerequisites

Experience with Ab-initio tools (VASP, QUANTUMESPRESSO), but not required

Character

40% Theory
40% Simulations
20% Implementation

Professor

Mathieu Luisier
Andreas Schenk

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