## Biography

Dr. Kara received his PhD in Condensed Matter from the Technical University of Lille and CEA Saclay, France, with Highest Honors.

### Research

My research interests encompass a variety of aspects in materials science spanning over different length and time scales. I use first principles electronic structure calculations ( Density Functional Theory) to study surface properties (relaxations, chemisorption etc ..) and to gain insight into the nature of the environment dependent interatomic bonding.

I use model potentials to perform extensive studies of temperature/time dependent properties of complex/low symmetry systems. These studies include:

1) Structure, vibrational dynamics and thermodynamics of stepped and kinked surfaces, adsorbates, adsorbed islands and nanocrystals of several metals. These calculations are performed using a real space Green’s function technique and a slab method.

2) Temperature dependent structural changes near and at metal surfaces using Molecular Dynamics (MD) simulations and free energy minimizations in the quasi-harmonic approximation.

3) (MD) simulations to study atom manipulations on surfaces using STM and AFM tips and the changes of the landscape of the potential energy surface caused by the tip.

4) Structure dynamics and thermodynamics of surfaces of alloys for the ordered and disordered surfaces. Segregation profiles at and near alloy surfaces using Monte Carlo (MC) simulations.

Finally, to bridge the structure/length and time gaps between accurate ab initio calculations and real applications, I’m also interested in the building of robust model interatomic potentials.

### Publications

**109. **K. Sbiaai, A. Eddiai, Y. Boughaleb, M Mazroui, J.Y. Raty, M. Meddad and **A. Kara**

** **Diffusion processes on missing-row surfaces, Opt. Quant. Elect. **46**, 15 (2014).

**108. **H Yildirim, T Greber, **A Kara**,

Trends in Adsorption Characteristics of Benzene Transition Metal Surfaces: Role of

Surface Chemistry and Van Der Waals Interactions

J. Phys. Chem. C **117**, 20572 **(2013).**

**107. **S. Gottardi, K. Muller, J.C. Moreno-Lopez, H. Yildirim, U. Meinhardt, M. Kivala,

**A. Kara**, M. Stohr.

Cyano-functionalized triarylamines on Au(111): competing intermolecular and

molecule/substrate interactions. Adv. Mater. Int., DOI: 10.1002/admi.201300025

**(2013).**

**106. **M.R. Tchalala, M.A. Ali, H. Enriquez, **A. Kara**, A. Lachgar, S. Yagoubi, E. Foy, E.

Vega, A. Bendounan, M.G. Silly, F. Sirotti, S. Nitshe, D. Chaudanson, H.

Jamgotchian, B. Aufray, A.J. Mayne, G. Dujardin, H. Oughaddou Silicon sheets by

redox assisted chemical exfoliation. J. of Phys.: Cond. Matt. 25, 442001 (2013).

**105. **M. R. Tchalala, H. Enriquez, A. J. Mayne, **A. Kara**, S. Roth, M. G. Silly, A.

Bendounan, F. Sirotti, Th. Greber, B. Aufray, G. Dujardin, M. Ait Ali, and H.

Oughaddou,

Formation of one-dimensional self-assembled silicon nanoribbons on Au(110)-2×1

Appl. Phys. Lett. **102**, 083107 **(2013).**

**104. **G. Nandipati, **A. Kara**, S.I. Shah, T.S. Rahman

Kinetically driven shape changes in early stages of two-dimensional island

coarsening: Ag/Ag (111). Phys. Rev. B 88 (11), 115402 **(2013)**

**103 **K. Sbiaai, Y. Boughaleb, **A. Kara**, S. Touhtouh and B. Sahraoui

Long jumps contribution to the adatom diffusion process near the step edge: The case

of Ag/Cu(110) Physica Status Solidi (b) **(2013).
**

**102 **K. Sbiaai, A. Eddiai, Y. Boughaleb, A. Hajjaji, **A. Kara**

** ** Ag adatom and dimer motion on Cu (110)(1×2) missing row surface. Opt. Mat. 36

(1), 42-46 **(2013).
**

**101**. K. Sbiaai, Y. Boughaleb, **A. Kara**

Dynamics of Cu monomer, dimer and trimer on Ag (110)(1×2) missing-row

reconstructed surface Surf. and Int. Anal. 45 (11), 1702-1708 **(2013).
**

**100. **K. Sbiaai, Y. Boughaleb, M. Mazroui, A. Hajjaji, **A. Kara** Energy barriers for

diffusion on heterogeneous stepped metal surfaces: Ag/Cu (110) Thin Solid

Films 548, 331-335 **(2013)**

**99. **Z Majzik, M Rachid Tchalala, M Švec, P Hapala, HEnriquez, **A Kara**, A J Mayne, G

Dujardin, P Jelínek and H Oughaddou,

Combined AFM and STM measurements of a silicene sheet grown on Ag(111)

Surface, J. Phys. Conden. Matt. **25**, 225301 **(2013).**

**98. **S.I. Shah, G. Nandipati, **A. Kara**, and T.S. Rahman

Self-diffusion of small Ni islands on the Ni(111): a self-learning kinetic Monte Carlo

Study, Phys. Rev. B **88**, 035414 **(2013).**

**97. **H. Yildirim and **A. Kara**, Effect of van der Waals interactions on the Adsorption of

Olympicene Radical on Cu(111): *Characteristics of Weak* *Physisorption versus *

* Strong Chemisorption,* J. Phys. Chem. C, C **117** (6), 2893-2902 **(2013).**

**96**. K. Muller, A.P. Seitsonen, T. Brugger, J. Westover, T. Greber, T. Jung, and **A. Kara**,

Electronic Structure of an Organic/Metal Interface: Pentacene/Cu(110), J. of Phys.

Chem. C **116,** 23465 **(2012).**

**95. **B.R. Cuenya, L.K ONO, J.R. Croy, K. Paredis, **A. Kara**, H. Heindrich, J. Zhao, E.E.

Alp, A.T. DelaRiva, A. Datye, E.A. Stach, and W. Keune, Size-dependent evolution

of the atomic vibrational density of states and thermodynamic properties of isolated

Fe nanoparticles, Phys. Rev. B **88**, 165406 **(2012).**

**94. **D. Le, **A. Kara**, E. Schroder, P. Hyldgaard, and T.S. Rahman, Physisorption of

nucleobases on graphene: a comparative van der Waals study, J. Phy. Conden. Matt.

**24, **424210 **(2012).**

- H. Enriquez, S. Vizzini,
**A. Kara,**B. Lalmi and H. Oughaddou, Silicene structures

on silver surfaces, J. Phys. Condens. Matter **24**, 314211 (**2012**).

**92. **K. Sbiaa, Y. Boughaleb, J.Y. Raty, A. Hajjaji, M. Mazroui, and **A. Kara**, Numerical

study of atomic diffusion processes of copper on silver (110) surface: Cu/Ag (110), J.

Opto. Adv. Mat. **14**, 1059 **(2012).**

**91. A. Kara**, H. Enriquez, L.Yan Voon, A. Seitsonen, S. Vizzini, and H. Oughaddou, A

Review on Silicene: a New Candidate for Electronics, Surf. Sci. Rep. **67, **1 **(2012).**

**A. Kara,**T.S. Rahman, Tailoring Electronic Structure Through

Alloying: The Ag_{n}Cu_{34-n} (n=0-34) Nanoparticle Family, J. Phy. Chem. C, **116, **281

**(2012).**

**89. **G. Nandipati, **A. Kara**, S.I. Shah, and T.S. Rahman, New Off-Lattice Pattern

Recognition Scheme for Off-Lattice Kinetic Monte Carlo Simulations, J. Comp.

Phys. **231**, 3548 **(2012)**

**88. **J. Westover, H. Enriquez, H. Oughaddou, and **A. Kara**, Metallization of SiC(100)

3×2 Surface: a DFT Investigation, Surf. Sci., **606**, 1471-1474 **(2012)**.

**87. **H. Enriquez, A. Mayne, **A. Kara**, S. Vizzini, S. Roth, B. Lalmi, A. P. Seitsonen, B.

Aufray, T. Greber, R. Belkhou, G. Dujardin and H. Oughaddou, Adsorption of silicon

on Au(110): an ordered 2D surface alloy, Appl. Phys. Lett. **101**, 021605 **(2012).**

**86. **S.I. Shah, G. Nandipati, **A. Kara **and T.S. Rahman, Extended Pattern Recognition

Scheme for Self-learning Kinetic Monte Carlo (SLKMC-II), J. Phy. Conden. Matt.

**24, **354004 **(2012).**

**85. **A.Karim, **A. Kara,** O. Trushin, T.S. Rahman, The crossover from collective motion

to periphery diffusion for two-dimensional adatom-islands on Cu(111), J. Phy.

Conden. Matt. **23, **462201 **(2011).**

**84**.G. Nandipati, **A. Kara**, S. I. Shah, and T.S. Rahman, Island Size Selectivity during

2D Island Coarsening of Ag(111), J. Phys.: Condens. Matter **23**, 262001 **(2011).**

**83. A. Kara**, H. Enriquez, S. Vizzini, B. Ealet, B. Aufray, H. Oughaddou, A Silicon

Monolayer on Ag(111), Global Journal of Phys. Chem. **2**, 145 **(2011).**

**82. **K. Sbiaa, Y. Boughaleb, J-Y. Raty, A. Arbaoui, and **A. Kara**, Surface Diffusion of

Ag adatom on Cu(110) by Molecular Dynamics Simulation, Global J. of Phys. Chem.

**2**, 157 **(2011).**

**81. **B. Lalmi, H. Oughaddou, H. Enriquez, **A. Kara**, S. Vizzini, B. Ealet, and B. Aufray,

Epitaxial growth of a silicene sheet, Appl. Phys. Lett. **97**, 223109 **(2010)**

**80. **B. Aufray, **A. Kara**, S. Vizzini, H. Oughaddou, C. Léandri, B. Ealet, and G. Le Lay,

Graphene-like silicon nanoribbons on Ag(110): A possible formation of

silicene,Appl. Phys. Lett. **96**, 183102 **(2010) **(This paper made the cover of APL

journal and was among the top ten most downloaded paper, from APL, during the

month of June 2011; this paper was also the subject of a highlight in Nature

Nanotechnology and several news media).

**79. **P. De Padova, C. Quaresima, C. Ottaviani, P. M. Sheverdyaeva, P. Moras, C.

Carbone, D. Topwal, B. Olivieri, **A. Kara**, H. Oughaddou, B. Aufray, and G. Le

Lay, Evidence of graphene-like electronic signature in silicene nanoribbons, Appl.

Phys. Lett. **96**, 261905 **(2010)**

**78****A. Kara**, S. Vizzini, C. Leandri, B. Ealet, H. Oughaddou, B. Aufray, and G. Le Lay,

Silicon Nano-Ribbons on Ag(110): a computational investigation. J. Phys. Condens.

Matter **22**, 045004 (**2010**).

- H. Yildirim,
**A. Kara**, T.S. Rahman, R. Heid, and K-P. Bohnen, Surface Vibrational

Thermodynamics from *ab initio* Calculations for fcc(110), Surf. Sci. **604**, 308 (**2010**).

**76. **F. Rabbering, **A. Kara**, H. Wormeester, T. Warnaar, O. Trushin, T.S. Rahman, and

B. Poelsema, Dispersed Forces from Measured Shape Anisotropy of Adatom Islands:

Revelations from an Accelerated Simulation Scheme. Phys. Rev. Lett.** 103**, 096105

(**2009**).

### Oversees

**Oversees the following graduate students:**

Muhammad Sajid

Nusaiba Zaman