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ALATDYN: a set of Anharmonic LATtice DYNamics codes to compute thermodynamic and thermal transport properties of crystalline solids
Keivan Esfarjani, Harold Stokes, Safoura Nayeb Sadeghi +6
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential ene…
Ultra-high lattice thermal conductivity and the effect of pressure in superhard hexagonal BC2N
Safoura Nayeb Sadeghi, S. Mehdi Vaez Allaei, Mona Zebarjadi +1
Hexagonal BCN is a superhard material recently identified to be comparable to or even harder than cubic boron nitride (c-BN) due the full bonding character and the hig…
Thermoelectric properties of semimetals
Maxime Markov, Emad Rezaei, Safoura Nayeb Sadeghi +2
Heavily doped semiconductors are by far the most studied class of materials for thermoelectric applications in the past several decades. They have Seebeck coefficient values which…