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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Electronic structures and magnetic properties of MnTe in the NiAs polymorph under pressure

Yeh, Hong-chieh 20 July 2006 (has links)
The spin polarized first principles pseudofunction (PSF) method with the local spin density approximation (LSDA) has been used to calculate total energies, electronic structures and total and partial densities of states for bulk MnTe in the NiAs structure for both anti-ferromagnetic and ferromagnetic states under the pressure. For the pressure range considered in this study, the anti-ferromagnetic state is thermodynamically more stable than the ferromagnetic state in agreement with experimental observation. For the anti-ferromagnetic state, MnTe has an indirect band gap, which decreases linearly with the increase of the pressure in agreement with experiment. The calculated valence band and conduction band are found to broaden with the increase of the pressure, which can be attributed to the pressure induced shortening of the Mn-Te bond length that enhances hybridization between Mn and Te orbitals.

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