# Effect of strain along C-axis NbS{sub 2}

## Abstract

We have studied electronic properties of double layered hexagonal structure of the Niobium Di-Sulphide (2H-NbS{sub 2}) superconductor for various strains introduced along the c-axis using ab-initio calculations. The DFT calculations based on Full Potential Linearized Augmented Plane Wave (FPLAPW) method are performed using the ELK code. The total energy curve (E vs a), Density of States (DOS) and the Band structure calculations obtained in this work are matching with the earlier reports. The Pressure-Volume (P-V) diagram for 2H-NbS{sub 2} was obtained using the Equation of State(EOS) calculations, which provides the relationship between the pressure and strain applied along the c-axis. The band structures for various strains ranging from 0 percent to 10 percent along c-axis in steps of 2 percent are obtained. We note that there are increasing number of bands crossing over the Fermi energy level with increase in strain. Thus, we conclude that with increasing strain along c-axis, number of conduction bands crossing the E{sub F} increases, which gives rise to more conduction states and hence higher conductivity.

- Authors:

- Department of Physics And Astronomical Science Central University of Himachal Pradesh, Dharmashala (India)

- Publication Date:

- OSTI Identifier:
- 22391776

- Resource Type:
- Journal Article

- Journal Name:
- AIP Conference Proceedings

- Additional Journal Information:
- Journal Volume: 1661; Journal Issue: 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CROSSING-OVER; DENSITY FUNCTIONAL METHOD; DENSITY OF STATES; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; ENERGY LEVELS; EQUATIONS OF STATE; NIOBIUM SULFIDES; PHASE DIAGRAMS; POTENTIALS; STRAINS; SUPERCONDUCTORS; WAVE PROPAGATION

### Citation Formats

```
Singh, Tapender, E-mail: tpndrsingh@gmail.com, Kumar, Jagdish, E-mail: jagdish.physicist@gmail.com, and Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com.
```*Effect of strain along C-axis NbS{sub 2}*. United States: N. p., 2015.
Web. doi:10.1063/1.4915469.

```
Singh, Tapender, E-mail: tpndrsingh@gmail.com, Kumar, Jagdish, E-mail: jagdish.physicist@gmail.com, & Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com.
```*Effect of strain along C-axis NbS{sub 2}*. United States. doi:10.1063/1.4915469.

```
Singh, Tapender, E-mail: tpndrsingh@gmail.com, Kumar, Jagdish, E-mail: jagdish.physicist@gmail.com, and Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com. Fri .
"Effect of strain along C-axis NbS{sub 2}". United States. doi:10.1063/1.4915469.
```

```
@article{osti_22391776,
```

title = {Effect of strain along C-axis NbS{sub 2}},

author = {Singh, Tapender, E-mail: tpndrsingh@gmail.com and Kumar, Jagdish, E-mail: jagdish.physicist@gmail.com and Sastri, O. S. K. S., E-mail: sastri.osks@gmail.com},

abstractNote = {We have studied electronic properties of double layered hexagonal structure of the Niobium Di-Sulphide (2H-NbS{sub 2}) superconductor for various strains introduced along the c-axis using ab-initio calculations. The DFT calculations based on Full Potential Linearized Augmented Plane Wave (FPLAPW) method are performed using the ELK code. The total energy curve (E vs a), Density of States (DOS) and the Band structure calculations obtained in this work are matching with the earlier reports. The Pressure-Volume (P-V) diagram for 2H-NbS{sub 2} was obtained using the Equation of State(EOS) calculations, which provides the relationship between the pressure and strain applied along the c-axis. The band structures for various strains ranging from 0 percent to 10 percent along c-axis in steps of 2 percent are obtained. We note that there are increasing number of bands crossing over the Fermi energy level with increase in strain. Thus, we conclude that with increasing strain along c-axis, number of conduction bands crossing the E{sub F} increases, which gives rise to more conduction states and hence higher conductivity.},

doi = {10.1063/1.4915469},

journal = {AIP Conference Proceedings},

issn = {0094-243X},

number = 1,

volume = 1661,

place = {United States},

year = {2015},

month = {5}

}