Structure of crystalline methanol at high pressure
(1998)
Journal Article
Allan, D., Clark, S., Brugmans, M., Ackland, G., & Vos, W. (1998). Structure of crystalline methanol at high pressure. Physical Review B (Condensed Matter), 58(18), 11809-11812
Professor Stewart Clark's Outputs (10)
Transferability of first principles derived torsional potentials for mesogenic molecules and fragments (1998)
Journal Article
Adam, C., Clark, S., Wilson, M., Ackland, G., & Crain, J. (1998). Transferability of first principles derived torsional potentials for mesogenic molecules and fragments. Molecular Physics, 93(6), 947-954. https://doi.org/10.1080/002689798168646
Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB (1998)
Journal Article
Clark, S., Ackland, G., & Crain, J. (1998). Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB. European Physical Society Letters, 44(5), 578-584. https://doi.org/10.1209/epl/i1998-00512-5
Stability and electronic structure of the cinnabar phase in GaAs (1998)
Journal Article
Kelsey, A., Ackland, G., & Clark, S. (1998). Stability and electronic structure of the cinnabar phase in GaAs. Physical review B, 57(4), R2029-R2032. https://doi.org/10.1103/physrevb.57.r2029
Compression mechanisms in quasimolecular XI(3) (X = As, Sb, Bi) solids (1998)
Journal Article
Hsueh, H., Chen, R., Vass, H., Clark, S., Ackland, G., Poon, W., & Crain, J. (1998). Compression mechanisms in quasimolecular XI(3) (X = As, Sb, Bi) solids. Physical review B, 58(22), 14812-14822. https://doi.org/10.1103/physrevb.58.14812We explore the structural, vibrational, and electronic properties of a prototypical family of quasimolecular layered solid of the type XI3 where (X=As,Sb,Bi) under compression. We use a combination of angle- dispersive powder x-ray diffraction and Ra... Read More about Compression mechanisms in quasimolecular XI(3) (X = As, Sb, Bi) solids.
High-pressure semiconductor-semimetal transition in TiS2 (1998)
Journal Article
Allan, D., Kelsey, A., Clark, S., Angel, R., & Ackland, G. (1998). High-pressure semiconductor-semimetal transition in TiS2. Physical review B, 57(9), 5106-5110. https://doi.org/10.1103/physrevb.57.5106
Structure, dynamics and molecular properties of liquid crystals molecules and fragments from first principles computer simulations performed on Cray T3D (1998)
Presentation / Conference Contribution
Adam, C., Clark, S., & Crain, J. (1998, December). Structure, dynamics and molecular properties of liquid crystals molecules and fragments from first principles computer simulations performed on Cray T3D. Presented at LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS Mil Univ Technol, Inst Appl Phys, Warsaw, Poland; Mil Univ Technol, Inst Chem, Warsaw, Poland; State Comm Sci Res, Poland; Soc Photo Opt Instrumentat Engineers; Commiss European Communities, Directorat, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
Electronic structure calculations of liquid crystal molecules: Application to chiral solutes. (1998)
Presentation / Conference Contribution
Clark, S., Ackland, G., & Crain, J. (1998, December). Electronic structure calculations of liquid crystal molecules: Application to chiral solutes. Presented at LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS Mil Univ Technol, Inst Appl Phys, Warsaw, Poland; Mil Univ Technol, Inst Chem, Warsaw, Poland; State Comm Sci Res, Poland; Soc Photo Opt Instrumentat Engineers; Commiss European Communities, Directorat, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
Phase transitions in silicate perovskites from first principles (1998)
Journal Article
Warren, M., Ackland, G., Karki, B., & Clark, S. (1998). Phase transitions in silicate perovskites from first principles. Mineralogical Magazine, 62(5), 585-598. https://doi.org/10.1180/002646198547981
Structure and electronic properties of FeSi2 (1998)
Journal Article
Clark, S., Al-Allak, H., Brand, S., & Abram, R. (1998). Structure and electronic properties of FeSi2. Physical review B, 58(16), 10389-10393. https://doi.org/10.1103/physrevb.58.10389The nature of the band gap in the semiconducting material beta-FeSi2 is still under some dispute. Although most experimental results indicate the band gap to be direct, nb initio work generally reports the material to be an indirect semiconductor wit... Read More about Structure and electronic properties of FeSi2.