Ab initio electronic structure calculation of oxygen vacancies in rutile titanium dioxide
- Creator: Hossain, Faruque M. , Murch, G. E. , Sheppard, L. , Nowotny, J.
- Resource Type: journal article
- Date: 2007
Ab initio vibrational spectra and structure of the ground state of HeScH2+
- Creator: Wilson, David J. D. , von Nagy-Felsobuki, E. I.
- Resource Type: journal article
- Date: 2005
Ab-initio electronic structure, optical, dielectric and bonding properties of lizardite-1T
- Creator: Hossain, F. M. , Dlugogorski, B. Z. , Kennedy, E. M. , Belova, I. V. , Murch, G. E.
- Resource Type: journal article
- Date: 2011
Atomic and electronic structure of the Si(001)2x1-Li chemisorption system at 1.0 monolayer coverage
- Creator: Shi, H. Q. , Radny, M. W. , Smith, P. V.
- Resource Type: journal article
- Date: 2005
Bi₂O₂Se: A rising star for semiconductor devices
- Creator: Ding, Xiang , Li, Menglu , Xiao, Haiyan , Zu, Xiaotao , Wang, Qingyuan , Vinu, Ajayan , Yi, Jiabao , Qiao, Liang , Chen, Pei , Zhao, Yan , Zhao, Mei , Leng, Huaqian , Wang, Yong , Ali, Sharafat , Raziq, Fazal , Wu, Xiaoqiang
- Resource Type: journal article
- Date: 2022
Bonding and electronics of the MoTe₂/Ge interface under strain
- Creator: Szary, Maciej J. , Michalewicz, Marek T. , Radny, Marian W.
- Resource Type: journal article
- Date: 2017
Electronic and optical properties of anatase TiO₂ nanotubes
- Creator: Hossain, Faruque M. , Evteev, Alexander V. , Belova, Irina V. , Nowotny, Janusz , Murch, Graeme E.
- Resource Type: journal article
- Date: 2010
Electronic structure and high-temperature thermochemistry of BaZrO₃₋δ perovskite from first-principles calculations
- Creator: Ghose, Krishna K. , Bayon, Alicia , Hinkley, Jim , Page, Alister J.
- Resource Type: journal article
- Date: 2019
Electronics of Ba adsorbed on Ge(001)
- Creator: Puchalska, A. , Jurczyszyn, L. , Koczorowski, W. , Czajka, R. , Radny, M. W.
- Resource Type: journal article
- Date: 2019
First-principles calculations of a corrugated anatase TiO₂ surface
- Creator: Hossain, Faruque M. , Evteev, Alexander V. , Belova, Irina V. , Nowotny, Janusv , Murch, Graeme E.
- Resource Type: journal article
- Date: 2012
First-principles study of the electronic, optical and bonding properties in dolomite
- Creator: Hossain, F. M. , Dlugogorski, B. Z. , Kennedy, E. M. , Belova, I. V. , Murch, G. E.
- Resource Type: journal article
- Date: 2011
Isolated benzene and dichlorobenzene on the Ge(1 0 0)-c(4 × 2) surface
- Creator: Puchalska, A. , Jurczyszyn, L. , Stankiewicz, B. , Radny, M. W.
- Resource Type: journal article
- Date: 2014
Optical properties of anatase and rutile titanium dioxide: ab initio calculations for pure and anion-doped material
- Creator: Hossain, Faruque M. , Sheppard, Leigh , Nowotny, Janusz , Murch, Graeme E.
- Resource Type: journal article
- Date: 2008
Reply to: Comment on 'Valence surface electronic states on Ge(001)' (commentary)
- Creator: Radny, M. W. , Shah, G. A. , Schofield, S. R. , Smith, P. V. , Curson, N. J.
- Resource Type: journal article
- Date: 2009
Single hydrogen atoms on the Si(001) surface
- Creator: Radny, M. W. , Smith, P. V. , Reusch, T. C. G , Warschkow, O. , Marks, N. A. , Wilson, H. F. , Schofield, S. R. , Curson, N. J. , McKenzie, D. R. , Simmons, M. Y.
- Resource Type: journal article
- Date: 2007
Spin-orbit and modified Becke-Johnson potential effects on the electronic properties of bulk Ge: a density functional theory study
- Creator: Smith, P. V. , Hermanowicz, M. , Shah, G. A. , Radny, M. W.
- Resource Type: journal article
- Date: 2012
Structural and electronic properties of chain-like structures formed by mixed PbAl dimers on Si(001) - computational DFT study
- Creator: Puchalska, A. , Racis, A. , Jurczyszyn, L. , Radny, M. W.
- Resource Type: journal article
- Date: 2013
Structural, electronic and optical properties of titania nanotubes
- Creator: Hossain, F. M. , Evteev, A. V. , Belova, I. V. , Nowotny, J. , Murch, G. E.
- Resource Type: journal article
- Date: 2012
The effect of defect disorder on the electronic structure of rutile TiO2-x
- Creator: Hossain, Faruque M. , Murch, Graeme E. , Sheppard, L. , Nowotny, Janusz
- Resource Type: journal article
- Date: 2006
The electronic structure of transition metal dihelide dications
- Creator: Wilson, David J. D. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2006