School of Computing, Science & Engineering

Professor Ian Morrison

Professor of Computational Physics, Director of Physics and Mathematics

Newton Building Room 163
T: +44 (0)161 295 5303
E: i.morrison@salford.ac.uk
SEEK: Research profile

Office Times

"Please contact me via email for an appointment”

Biography

Aug 2006 – present: Professor of Computational Physics – University of Salford

Aug 2003 – Aug 2006: Reader in Physics – University of Salford

Sept 1999 – July 2003: Senior Lecturer – University of Salford

Jan 1995 – Aug 2000: Lecturer – University of Salford

Mar 1993 – Dec 1994: Research Associate, University of Wales College of Cardiff

Jan 1991 – Feb1993: Postdoctoral Research Fellow, University of Texas at Austin

Jan 1998 – Dec 1990: Research Associate, University of Newcastle upon Tyne

Teaching

Fundamentals of Physics A

Computing for Physics

Classical and Quantum Waves

Particle Physics

Research Interests

My research interests and expertise in the general field of theoretical and computational condensed matter physics. In particular I am interested in the ab-initio prediction of material properties with a view to the understanding and optimization of electronic, optical and thermodynamic materials properties. A major interest in recent years has been concerned with the in-silico design of new materials for hydrogen storage.

My PhD was completed in 1987 and involved semi-empirical investigations of the electronic structure in semiconductor. During this time I developed methods to include the effects of strain in the prediction of superlattice bandstructures and the first calculations of these effects in strained layer Si/Ge systems performed. I then remained in Newcastle for a further two years as a Research Associate developing methods to predict the non-linear optical properties of semiconductor superlattices and the effect of interface roughness on these properties. These methods allowed the first quantative predictions of non-linear optical response as a function of structure to be made.

In 1990 I joined the University of Texas as a Welch Fellow. In Texas I was involved in the development of Ab-Initio pseudopotential methods to be employed in the prediction of material properties. These methods were then used to make first principles predictions of a diverse range of phenomena including the structure of complex boron compounds, measurements of the structure in such compounds were unreliable, and the magnetic properties of transition metal surfaces and overlayers.

In April 1993 I joined U.W.C.C. as a Research Associate. Here I was concerned with the simulation and understanding of the dynamics of semi-conductor surfaces and growth processes. Both Ab-Initio methods and the Bond Order Potential Method (in collaboration with the Materials Modelling group at Oxford) were used to predict lattice dynamic properties.

Other research interests include the Ab-Initio simulation of the dynamics of ice phases, with particular emphasis on the understanding of anomalous features of measured spectra, and studies of the microscopic mechanisms responsible for magnetic phase transitions in transition metal intermetallic hydrides. Further major research interests include developments in electronic structure theory including linear scaling techniques and the development of Ab-Initio lattice dynamical theory.

Qualifications and Memberships

BSc, PhD, MInstP - CPhys

Publications

Moser, D.; Baldissin, G.; Bull, D. J., Morrison, I.

The pressure-temperature phase diagram of MgH2 and isotopic substitution

JOURNAL OF PHYSICS-CONDENSED MATTER Volume: 23, 305403 (2011)

Seifi, M.; Ross, D. K.; Riley, D. J.; Morrison, I.

The dependence of the hydrogen sorption capacity of single-walled carbon nanotubes on the concentration of catalyst

CARBON Volume: 47 , 3184-3191 (2009)

Liu, J Cui, XY Georgiev, PA Morrison, I Ross, DK Roberts, MA Andersen, KA Telling, M Fort, D

Effect of H on the crystalline and magnetic structures of the YCo3-H(D) system. II. YCo3-H(D)(x) from x-ray and neutron powder diffraction

PHYSICAL REVIEW B 76 (2007)

Cui, XY Liu, J Georgiev, PA Morrison, I Ross, DK Roberts, MA Andersen, KA Telling, M Fort, D

Effect of H on the crystalline and magnetic structures of the YCo3-H(D) system. I. YCo3 from neutron powder diffraction and first-principles calculations

PHYSICAL REVIEW B, 76 (2007)

Tsogbadrakh, N Morrison, I

First-principles calculation of structure and dynamical properties of orientational defects in ice

PHYSICS AND CHEMISTRY OF ICE, 601-608 (2007)

X.Y. Cui, J. Liu, I.Morrison and D.K. Ross

AB INITIO STUDIES OF STRUCTURES AND MAGNETIC STRUCTURE IN YCo3H

JOURNAL OF ALLOYS AND COMPOUNDS, (2005)

Jenkins SR, Kirk SA, Cote AS, Ross DK and Morrison I DEPENDENCE OF THE NORMAL MODES ON THE ELECTRONIC STRUCTURE OF VARIOUS PHASES OF ICE AS CALCULATED BY AB INITIO METHODS

CANADIAN JOURNAL OF PHYSICS 81 (1-2): 225-231 (2003)

I.Morrison, A.S.Cote, X.Cui, S.Jenkins and D.K.Ross

AB-INITIO DENSITY FUNCTIONAL LATTICE DYNAMICS STUDEIS OF ICE

CANADIAN JOURNAL OF PHYSICS - 81 (1-2): 115-122 (2003)

S.E.Donnelly, R.C.Bircher, C.W.Allen, I.Morrison, K.Furuya, M.Song, K.Mitsuishi and U.Dahmen

ORDERING IN A FLAT INERT GAS CONFINED BY FLAT SURFACES

SCIENCE, Vol.296 pp.507-510 (2002)

X-Y. Cui, I.Morrison and J-G.Han

A COMPUTATIONAL STUDY OF PHOTOISOMERIZATION IN Al3O3- CLUSTERS

JOURNAL OF CHEMICAL PHYSICS, 2002, 117(3) pp.1077-1084

D.K.Ross, J.E.Totolici, M.Kemali, I.Morrison, A.Ivanov and M.R.Johnson

PROTON WAVE FUNCTIONS IN PALLADIUM STUDIED BY AB INITIO CALCULATIONS AND INELASTIC NEUTRON SCATTERING METHODS

Recent Advances in Hydride Chemsitry M.Peruzzini and R.Poli eds. (Elsevier, Amsterdam, 2001) Chapter 17, pp.507-530.

S.Jenkins and I.Morrison

THE DEPENDENCE ON STRUCTURE OF THE PROJECTED VIBRATIONAL DENSITY OF STATES OF VARIOUS PHASES OF ICE AS CALCULATED BY AB-INITIO METHODS

JOURNAL OF PHYSICS-CONDENSED MATTER, 2001, Vol.13, pp.9207-9229

M.Kemali, J.E.Totolici, D.K.Ross and I.Morrison

INELASTIC NEUTRON SCATTERING MEASUREMENTS AND AB-INITIO CALCULATIONS OF HYDROGEN IN SINGLE CRYSTAL PALLADIUM

PHYSICAL REVIEW LETTERS, 2000, Vol.84, No.7, pp.1531-1534

S.Jenkins, I.Morrison and D.K.Ross

SYMMETRY CLASSIFICATION OF THE PROJECTED VIBRATIONAL DENSITY OF STATES IN ICE VIII FROM AB-INITIO METHODS

JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, Vol.12, No.6, pp.815-821

*S.Jenkins and I.Morrison

THE CHEMICAL CHARACTER OF THE INTERMOLECULAR BONDS OF SEVEN PHASES OF ICE AS REVEALED BY AB-INITIO CALCULATION OF ELECTRON DENSITIES

CHEMICAL PHYSICS LETTERS, 2000, Vol.317, No.1-2, pp.97-102

S.Jenkins and I.Morrison

CHARACTERIZATION OF VARIOUS PHASES OF ICE ON THE BASIS OF THE CHARGE DENSITY

JOURNAL OF PHYSICAL CHEMISTRY B, 1999, Vol.103, No.50, pp.11041-11049

I.Morrison and S.Jenkins

FIRST PRINCIPLES LATTICE DYNAMICS STUDIES OF THE VIBRATIONAL SPECTRA OF ICE

PHYSICA B: PHYSICS OF CONDENSED MATTER, 1999, Vol.263, pp.442-444

I.Morrison, S.Jenkins, D.K.Ross, J.Li

AB-INITIO INVESTIGATIONS OF THE DYNAMICAL PROPERTIES OF ICE

High Performance Computing R.J.Allan et al., eds. (Plenum, London, 1998) pp.175-184.

I.Morrison, J.C.Li, S.Jenkins, S.S.Xantheas, M.C.Payne

AB-INITIO TOTAL ENERGY STUDIES OF THE STATIC AND DYNAMICAL PROPERTIES OF ICE Ih

JOURNAL OF PHYSICAL CHEMISTRY B, 1997, Vol.101, No.32, pp.6146- 6150

J.L.Gavartin, C.C.Matthai, I.Morrison

THE INFLUENCE OF THE SPATIAL STRUCTURE ON THE ELECTRONIC- PROPERTIES OF POROUS SILICON - QUANTUM-CHEMICAL STUDY

THIN SOLID FILMS, 1995, Vol.255, No.1-2, pp.39-42

C.C.Matthai, G.J.Moran and I.Morrison

COMPUTER SIMULATION OF SI AND C ATOMS ON SIC SURFACES

DAIMOND, SIC AND NITRIDEWIDE BANDGAP SEMICONDUCTORS, MRS PROCEEDINGS 1994, Vol.339, Ch.112, pp.21-26

G.J.Moran, I.Morrison and C.C.Matthai

A MOLECULAR-DYNAMICS STUDY OF INGAAS LAYERS ON GAAS SUBSTRATES

COMPOUND SEMICONDUCTOR EPITAXY, MRS PROCEEDINGS 1994, VOL.340, Ch.89, pp.315-320

L.Kleinman, D.M.Bylander, I.Morrison

FERROMAGNETISM OF THE RH(001) SURFACE - REPLY

PHYSICAL REVIEW LETTERS, 1993, Vol.71, No.24, p.4098