I want to find example of use of SCAPS-1D for simulating 2D materials based devices. I found a few papers, but they do not specify it in the 2D limit or explicit inclusion of vdW's interaction.
Hi, We have been using Slacks equation to calculate the lattice thermal conductivity in bulk materials. But I am searching literature for finding out how the parameters and steps differ in case...
19 February 2023 1,485 0 View
Hi, I have used OQMD for convex hull calculations of bulk Heusler compounds. But, now I have 2D materials and want to find their hull distance. Is this possible? Is there a paper for this or a...
17 January 2023 2,536 1 View
I have been searching literature to find the equation as well as technique to obtain relaxation time as well as mobility for 3D or bulk Orthorhombic structure by applying strain using deformation...
11 July 2021 3,555 0 View
Hi, I am using a vdW's based 2D monochalcogenide system for which I want to use vdW-DF2 of opt-BK86 type. I have used this before. But, have forgotten how to set up the input for the same. I...
23 March 2020 3,355 2 View
I aim to study stable surfaces that can retain spin polarization in Heusler alloys. Although, a lot of papers rely on this technique, there is no technical detail as to how such calculations are...
09 February 2020 740 3 View
I am an undergraduate in Chemical Engineering and seeking for suggestionson topics on thermodynamic property estimation that I may take up as my UG Thesis.
03 October 2017 8,646 3 View
Hi everyone, I have done some preliminary calculations on a vdWs 2D monolayer by substituting atoms at one of its atomic sites in the unit cell itself. I find negative formation energy and...
01 January 1970 3,217 2 View
Hi, I want to calculate the transport properties using Boltztrap. I have simulated the electronic structure using Wien2k. So, i need some stepwise instructions or tutorials that can help me...
01 January 1970 9,129 1 View
Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...
09 August 2024 7,615 1 View
How we can cite the papers from ResearchGate. I am trying to create citations for this article, Quantum Machine Learning Algorithms for Optimization Problems: Theory, Implementation, and...
08 August 2024 6,690 3 View
Hello dear colleagues, We have prepared a manuscript on NiTi-based alloys and are seeking a second opinion on our current TEM results. If you are a Ph.D. holder with experience in TEM and have...
07 August 2024 9,563 0 View
how to get links for copyrights for papers?
06 August 2024 7,410 1 View
What is the prepared reference material that can be used in the ICPE-9820 Shimadzu Japan instrument, which employs inductively coupled plasma optical emission spectrometry (ICP-OES) to measure...
06 August 2024 1,896 1 View
To compare positive and negative cell populations in flow cytometry, should I compare unstained cells with antibody stained cells? Or with the isotype control? Most papers show comparison with...
06 August 2024 6,728 6 View
Citi BLOC Standard Basket Definitions: A standardized unit representing a fixed basket of construction materials, labor, and equipment costs priced in various cities. Purpose: To create a common...
04 August 2024 8,997 1 View
need to open an account to upload my published papers
01 August 2024 9,255 1 View
I've seen articles that primarily focus on alpha and beta activity in the frontal regions, but these studies often compare healthy subjects with those having various pathologies. I haven't seen a...
31 July 2024 7,259 1 View
I've been using ResearchGate for a while now and have found many useful research papers that are beneficial for my work. However, I've noticed that many authors do not respond to my messages....
31 July 2024 7,771 5 View