1. Theoretical & Computational Materials Physics
Dr. Charles W. Myles
Professor of Physics
Theoretical & Computational Materials Physics
Semiconductor Materials
Thermoelectric Materials
First-Principles Calculations
Structural & Electronic Properties
Vibrational & Thermal Properties
Transport Properties

2. Properties of Semiconductors Type I Clathrates Type II Clathrates
Theoretical/Computational Materials Physics
Professor Charles W. Myles
Properties of Semiconductors
First-Principles Calculations
Clathrate Semiconductors & Thermoelectrics
Structural, Electronic, & Vibrational Properties
Electronic & Thermal Transport
Lattice Constant vs. x in NaxSi136
Calculated
Type I Clathrates
Si46, Ge46, Sn46
Type II Clathrates
Si136, Ge136, Sn136
X-Ray Data
Data

3. Professor Charles W. Myles
Theoretical/Computational Materials Physics
Professor Charles W. Myles
Calculated & Measured Heat Capacity vs. Temperature: Biswas, Myles, et al., J. Appl. Phys. 104, (2008).
Calculated & Measured Raman Spectra: Nolas, Myles, et al.
J. Appl. Phys. 92, (2003).
Data
Theory
Theory
Theory
Data
Calculated Lattice Constant
vs. x in NaxSn136, KxSn136,
RbxSn136 & CsxSn136, Xue &
Myles, unpublished (2015)
Data
Theory