Dr. Shahab Derakhshan

Our research group is interested in synthesis, crystal structure determination, electronic structure calculations and physical properties measurement of some functional materials. The major focus is devoted to the energy related functional Materials (Thermoelectrics, Hydrogen Production Photo-catalysts, Fuel Cells), and exotic magnetic properties in extended solids. A good understanding of the connections between crystal structure, electronic structure and physical properties will lead us to rationally design and produce these functional materials. The crystal structure (elemental composition, bonding characteristics and connectivity) determines the electronic structure, which in turn explains the physical properties.

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• Derakhshan S.*, Greedan J.E., Katsumata T., Cranswick L.M.D., (2008) Long Range Antiferromagnetic Ordering in the Novel Magnetically Frustrated Rock Salt Oxide System: Li3Mg2RuO6, Chemistry of Materials, 20, 57145720.
• Derakhshan S*., Greedan J.E., Cranswick L.M.D., (2008), Long Range Antiferromagnetic Ordering in the S = = Ordered Rock Salt Oxide, Li5OsO6 : Comparison with the Isoelectronic and Isostructural Spin Glass, Li4MgReO6 , Physical Review B., 77, 14408/1-14408/8.
• Derakhshan S*., Cuthbert H.L., Greedan J.E., Rahaman B., Saha-Dasgupta T., (2007) Electronic Structure and Low Dimensional Magnetic Properties of the Ordered Rock Salt Oxides, Na3Cu2SbO6 and Na2Cu2TeO6, Physical Review B., 76, 104403/1-104403/7.
• Derakhshan S., Assoud A., Kleinke K. M., Kleinke H., (2007) Crystal and Electronic Structures and Physical Properties of the Ternary Pnictides Ti(x)Mo(1-x)As2 and Ti(x)Mo(1-x)Sb2, Inorganic Chemistry 46, 1459-1463.
• Derakhshan S., Assoud A., Kleinke K.M., Khaire T., Masadeh A. S., Billinge S.J.L., Kleinke H., (2007), Square Net Distortion Control in the Ternary Antimonides Ti(2-x)Zr(x)Sb and Ti(2-x)Hf(x)Sb, Intermetallics, 15, 1071-1077.
• Derakhshan S., Assoud A., Taylor N.J., Kleinke H., (2006) Crystal and Electronic Structures and Physical Properties of Two Semiconductors: Pb4Sb6Se13 and Pb6Sb6Se17, Intermetallics, 14, 198-207.
• Derakhshan S., Assoud A., Soheilnia N., Kleinke H., (2005) Electronic structure and thermoelectric properties of the thioantimonate FePb4Sb6S14, Journal of Alloys and Compounds, 390, 51-54.
• Derakhshan S., Assoud A., Kleinke K.M., Dashjav E., Qiu X., Billinge S.J.L., Kleinke H., (2004) Planar nets of Ti atoms comprising squares and rhombs in the new binary antimonide Ti2Sb, Journal of the American Chemical Society, 126, 8295-8302.
• Derakhshan S., Kleinke K.M., Dashjav E., Kleinke H., (2004) HfMoSb4, the first nonmetallic early transition metal antimonide, Chemical Communications 2428-2429.
• Derakhshan S., Dashjav E., Kleinke H., (2004) The predicted structures of the new pnictides HfMQ in contrast to ZrMQ (M = Ti, V; Q = P, As), European Journal of Inorganic Chemistry, 1183-1189.