Session VIII: Tr. 5 Condensed Matter Physics
- Anucha Yangthaisong ()
Transition metal borides (TMBs) are currently the subject of intensive interest
because of their superhard and ultra-incompressible features. Some TMBs are classified as
superhard materials mainly due to the presence of strong boron-boron covalent
bonding. To guide the experiment, employing density functional theory with evolutionary algorithm for crystal structure prediction, the...
A large negative thermal expansion (NTE) was discovered in simple cubic scandium trifluoride (ScF3) over a wide range of temperatures. The underlying mechanism has been explained by Li et al.  in terms of the vibration mode with the transverse motion of F atoms to their bond direction which behaves as quantum quartic oscillator. In this work, frozen phonon calculations with first-principles...
MoS2 is a compound in transition metal dichalcogenide (TMDC) family that is semiconductor with layered honeycomb structure (2H) having strong in-plane bonding and weak out-of-plane van der Waals (VDW) interactions. In the bulk form, MoS2 has an indirect band gap where valence band maximum and conduction band minimum are located at the Γ point and the middle point between Γ-K point,...
We study carrier mobility of 2D extrinsic graphene by acoustic phonon scattering as a function of temperature (T) and carrier density (n). We calculate inverse relaxation times (τ) as a function of energy for different temperatures and resistivity (ρ) as a function of temperature for different densities (n).