Study of the enhanced electronic and thermoelectric (TE) properties of ZrxHf1−x−yTayNiSn: a first principles study

Author:

Rai D. P.1234,Shankar A.1536,Sandeep Sandeep1536,Ghimire M. P.789,Khenata R.10111213,Thapa R. K.15367

Affiliation:

1. Department of Physics

2. Pachhunga University College

3. Aizawl

4. India-796001

5. Mizoram University

6. India-796009

7. Condensed Matter Physics Research Center

8. Lumbini

9. Nepal

10. Laboratoire de Physique Quantique et de Modlisation Mathmatique (LPQ3M)

11. Dpartement de Technologie

12. Universit de Mascara

13. 29000-Algeria

Abstract

A density functional theory (DFT) approach employing generalized gradient approximation (GGA) and the modified Becke Johnson (TB-mBJ) potential has been used to study the electronic and thermoelectric (TE) properties of ZrxHf1−x−yTayNiSn.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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