ISSN 2394-5125
 
2021, Vol: 8, Issue: 8
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    PRESSURE-VOLUME -TEMPERATURE RELATIONSHIP AND THERMOELECTRIC PROPERTIES OF SOME IONIC SOLIDS (2021)
    Dr Jay Prakash
    JCR. 2021: 563-574

    Abstract

    In this paper, using the WIEN2k code and the theoretical frameworks of the Boltzmann theory and density functional theory, we completed a first guideline examination for new half-Heusler LiSrX (X= N, P, and as). Utilizing the generalized angle guess, we determined the trade correlation potential (GGA). The three compounds exhibit strong energetic stability in structure type 2, and we can see that replacing the ions with larger ones caused the bulk modulus to decrease and the lattice constant to rise. Our calculations show that the compounds LiSrN, LiSrP, and LiSrAs are exactly stable and exhibit semiconductor properties with different bandgaps of 1.21, 1.75, and 1.94 eV for LiSrN, LiSrP, and LiSrAs, respectively. indicate. Estimation of thermoelectric properties of LiSrX (X=N, P and As) reveals a strong component of p-type doping convergence

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    Volume 8 Issue-5

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