Ling Miao

Jun 7, 2023 | link.aps.org | Wei Cao |Jing Shi |Rui Xiong |Ling Miao

Abstract Most materials exhibit a monotonically increasing lattice thermal conductivity with pressure. However, in this work, we report anomalous thermal transport properties of MgSe with a diamond phase under high pressure by first-principles calculations. Unlike other selenides, the lattice thermal conductivity of MgSe decreases with increasing pressure. We attribute this anomalous thermal transport to both harmonic and anharmonic effects.