1. "First Principles Study of the Vibrational and Thermal Properties of the Sn-Based Type II Clathrates Cs_xSn₁₃₆ (0 ≤ x ≤ 24) and Rb₂₄Ga₂₄Sn₁₁₂", Hadeel Zahid, Dong Xue and C.W. Myles, Inorganics 7, 74 (2019). [pdf]

   Correction: "First Principles Study of the Vibrational and Thermal Properties of the Sn-Based Type II Clathrates Cs_xSn₁₃₆ (0 ≤ x ≤ 24) and Rb₂₄Ga₂₄Sn₁₁₂",

    Hadeel Zahid, Dong Xue and C.W. Myles, Inorganics, 7, 112 (2019).   [pdf]

  .

2. "Electronic Properties and Negative Thermal Expansion Behavior of Si_136-xGe_x (x = 8, 32, 40, 104) Clathrates from First Principles", Dong Xue and C.W. Myles, Nanomaterials 9, 851 (2019).  [pdf] 

  .

3.  "First-principles Analysis of the Vibrational Properties of the Type II SiGe Alloy Clathrates", Dong Xue and C.W. Myles, 

Nanomaterials 9, 723 (2019).  [pdf] 

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4.  "First-principles Study of the Electronic, Vibrational Properties and Anharmonic Effects in Some Si-based Type-II Binary Clathrates", Dong Xue and C.W. Myles, Materials, 12, 536 (2019). [pdf] 

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5. "First-principles Investigation of the Type II Al-Substituted Ternary and Quaternary Clathrate Semiconductors R₈Al₈Si₁₂₈ (R = Cs, Rb) and Cs₈Na₁₆Al₂₄Si₁₁₂" D. Xue and C.W. Myles, Applied Sciences, 9, 125 (2019). [pdf]

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6. "Phonon Dynamics in Type VIII Silicon Clathrates: Beyond the Rattler Concept", P. Norouzzadeh, C.W. Myles, and D. Vashee, Physical Review B, 95, 195206 (2017). [pdf]  

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7. "Effect of Guest Atom Composition on the Structural & Vibrational Properties of the Type II Clathrate-Based Materials A_xSi₁₃₆, A_xGe₁₃₆, A_xSn₁₃₆ (A = Na, K, Rb, Cs; 0 < x < 24)", D. Xue, C.W. Myles, C. Higgins, Materials, 9, 691 (2016). INVITED Contribution to the Special Issue on "Inorganic Clathrate Materials". [pdf]    

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8. "A First-principles Lattice Dynamical Study of Type-I, Type-II, and Type-VIII Si Clathrates" P. Norouzzadeh, C.W. Myles, Journal of Materials Science, 51, 4538 (2016). [pdf]

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Refereed Publications, 2005-2015

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