Publications
DFT
D. Kartoon, G. Makov
Structural and electronic properties of the incommensurate host-guest Bi-III phase. Phys. Rev. B 100, 014104 (2019)
D. Kartoon, U. Argaman, G. Makov
Driving forces behind the distortion of one-dimensional monatomic chains: Peierls theorem revisited. Phys. Rev. B 98, 165429 (2018)
R. E. Abutbul, E. Segev, U. Argaman, G. Makov, Y. Golan
Pi‐Phase Tin and Germanium Monochalcogenide Semiconductors: An Emerging Materials System. Adv. Mater. 30, 1706285 (2018)
E. Segev, U. Argaman,R. E. Abutbul, Y. Golan, G. Makov
A new cubic prototype structure in the IV–VI monochalcogenide system: a DFT study. CrystEngComm 19, 1751-1761 (2017)
U. Argaman, E. Eidelstein, O. Levy, G. Makov
Ab initio study of the phononic origin of negative thermal expansion. Phys. Rev. B 94, 174305 (2016)
R.E. Abutbul, E. Segev, S. Samuha, L. Zeiri, V. Ezersky, G. Makov, Y. Golan
A new nanocrystalline binary phase: synthesis and properties of cubic tin monoselenide. CrystEngComm 18 (11), 1918-1923 (2016)
R.E. Abutbul, E. Segev, L. Zeiri, V. Ezersky, G. Makov, Y. Golan
Synthesis and properties of nanocrystalline π-SnS–a new cubic phase of tin sulphide. RSC Adv. 6, 5848 (2016)
U. Argaman, G. Makov and E.Kraisler
Higher ionization energies of atoms in density-functional theory. Phys. Rev. A 88, 042504 (2013)
E.Kraisler, G. Makov and I. Kelson
Ensemble v-representable ab initio density-functional calculation of energy and spin in atoms: A test of exchange-correlation approximations. Phys. Rev. A 82, 042516 (2010).
E.Kraisler, G. Makov, N. Argaman and I. Kelson
Fractional occupation in Kohn-Sham density-functional theory and the treatment of non-pure-state v-representable densities. Phys. Rev. A 80, 032115 (2009).
N. Argaman and G. Makov
Thermodynamics as an alternative foundation for zero-temperature and spin density functional theories. Phys. Rev. B 66, 052413 (2002)
N. Argaman and G. Makov,
Introduction to density functional theory. Am. J. Phys. 68, 68 (2000).
G. Makov, R. Shah and M.C. Payne
Periodic Boundary Conditions in ab initio Calculations II: Brillouin Zone sampling for aperiodic systems. Phys. Rev. B 53, 15513 (1996).
G. Makov
Chemical Hardness in Density Functional Theory. J. Phys. Chem. 99, 9337 (1995).
G. Makov and M.C. Payne
Periodic Boundary Conditions in ab initio Calculations. Phys. Rev. B 51, 4014 (1995).
Dislocations and defects in solids
E Oren, E Yahel, G Makov
Kinetics of dislocation cross-slip: A molecular dynamics study. Comp. Mat. Sci. 138, 246 (2017)
E Oren, E Yahel, G Makov
Dislocation kinematics: a molecular dynamics study in Cu. Modell. and Simul. Mat. Sci. Eng. 25, 025002 (2016)
E. Pechenik, I. Kelson and G. Makov
Formulation of wide-ranging embedded-atom-type potentials: the role of mechanical stability. Modell. and Simul. Mat. Sci. Eng. 21, 015006 (2013).
P. Landau, D. Mordehai, A. Venkert and G. Makov
Universal Strain - Temperature Dependence of Dislocation Structures at the Nano-Scale. Scripta Materialia 66, 135-138 (2012).
P. Landau, G. Makov, R.Z. Shneck and A. Venkert
Universal strain–temperature dependence of dislocation structure evolution in face-centered-cubic metals. Acta Mat. 59, 5342 (2011).
R. Choudhury, C. Gattinoni, G. Makov and A. De Vita
Molecular dynamics studies of the dissociated screw dislocation in silicon. J. Phys. Cond. Matt. 22, 074210 (2010).
G. Makov, C. Gattinoni and A. de Vita,
Ab initio based multiscale modelling for materials science. Modelling Simul. Mater. Sci. Eng. 17 084008 (2009).
P. Landau, R.Z. Schneck, G. Makov and A. Venkert
Microstructure evolution in deformed copper. J. Mat. Sci. 42, 9775 (2007).
D. Mordehai, I. Kelson and G. Makov
Nonplanar core and dynamical behaviour of screw dislocations in copper at high velocities. Phys. Rev. B 74, 184115 (2006).
D. Mordehai, I. Kelson and G. Makov
Cross-slip and annihilation of screw dislocations in Cu: A molecular dynamics study. Mat. Sci. Eng. A 37, 400-401 (2005).
D. Mordehai, Y. Ashkenazy, I. Kelson and G. Makov
Dynamic properties of dislocations – a molecular dynamics study. Phys Rev. B 67, 024112 (2003).
N. Argaman, O. Levy and G. Makov
Dislocation pattern formation – simulations of annealing in 2D. J. de Physique IV 11, Pr5-61 (2001)
N. Argaman, O. Levy and G. Makov
When do 2D dislocations form cellular structures?. Mat. Sci. Eng. A 309-310, 386 (2001)
Phase diagrams and physical properties of materials
U. Argaman and G. Makov
First-principles study of the temperature dependence of the elastic constants of hcp titanium Comp. Mat. Sci. 184 109107 (2020)
Shir Ben Shalom, Han Gyeol Kim, Moran Emuna, Uri Argaman, Yaron Greenberg, Joonho Lee, Eyal Yahel, Guy Makov
Anomalous pressure dependent phase diagram of liquid Ga–In alloys. Journal of Alloys and Compounds 822, 153537 (2020).
G. Makov, M. Emuna, E. Yahel, H.G. Kim, J. Lee
Effect of pressure on the interactions and phase diagrams of binary alloys. Computational Materials Science 169, 109103 (2019).
H.G. Kim, J. Lee, G. Makov
Thermodynamic Calculation of Bi–Sn Alloy Phase Diagram Under Pressure with Advanced Density Measurements. Metals and Materials International 1-5 (2019).
S. Shor, E. Yahel, G. Makov
Evolution of short range order in Ar: Liquid to glass and solid transitions - a computational study. AIP Advances 8, 045215 (2018).
M Emuna, S. Matityahu, E. Yahel, G. Makov, Y Greenberg
A reversible transition in liquid Bi under pressure. Journal of Chemical Physics 148, 034505 (2018).
M Emuna, Y Greenberg, R Hevroni, I Korover, E Yahel, G Makov
Phase diagrams of binary alloys under pressure . Journal of Alloys and Compounds 687, 360-369 (2016)
S. Okavi, M. Emuna, Y. Greenberg, E. Yahel, G. Makov
Interactions in liquid bismuth-lead from sound velocity studies. Journal of Molecular Liquids 220, 788-794 (2016)
Y. Dahan, G. Makov, R.Z. Shneck
Nanometric size dependent phase diagram of Bi–Sn. Calphad 53, 136-145 (2016)
S. Matityahu, M. Emuna, E.Yahel, G. Makov and Y. Greenberg
Novel experimental design for high pressure-high temperature electrical resistance measurements in a “Paris-Edinburgh” large volume press. Rev. Sci. Instrum. 86, 043902 (2015)
M. Mayo, S. Shor, E. Yahel, G. Makov
Short range order in elemental liquids of column IV. J. Chem. Phys.: 142, 194501 (2015).
U. Argaman, E. Eidelstein, O. Levy and G. Makov
Thermodynamic properties of titanium from ab initio calculations. Mater. Res. Express: 2 016505 (2015).
M. Emuna, M. Mayo, Y. Greenberg, E. N. Caspi, B. Beuneu, E. Yahel and G. Makov
Liquid structure and temperature invariance of sound velocity in supercooled Bi melt. J. Chem. Phys.: 140, 094502 (2014).
M. Mayo, E. Yahel, Y. Greenberg, E. N. Caspi, B. Beuneu and G. Makov
Determination of the structure of liquids: an asymptotic approach. J. Appl. Cryst. 46, 1582-1591 (2013).
M. Mayo, E. Yahel, Y. Greenberg and G. Makov
Short range order in liquid Pnictides. J. Phys.: Condens. Matter 25, 505102 (2013).
M. Emuna, Y. Greenberg, E.Yahel and G. Makov
Anomalous and normal dependence of the sound velocity in the liquid Bi-Sb system. J. Non-Cryst. Sol. 362, 1 (2013).
Y. Shor, E. Yahel and G. Makov
Short range order in anomalous liquid metals. J. Non-Cryst. Sol. 358, 2687 (2012).
G. Makov and E. Yahel
Liquid-liquid phase transformations and the shape of the melting curve. J. Chem. Phys. 134 204507 (2011).
Y. Greenberg, E. Yahel, E. N. Caspi, B. Beuneu, M. P. Dariel and G. Makov
On the relation between the microscopic structure and the sound velocity anomaly in elemental melts of groups IV,V and VI. J. Chem. Phys. 133, 094506 (2010).
Y. Greenberg, E. Yahel, E. N. Caspi, C. Benmore, B. Beuneu, M. P. Dariel and G. Makov
Evidence for a temperature-driven structural transformation in liquid bismuth. Europhys. Lett. 86, 36004 (2009).
E. Brosh, G.Makov and R.Z. Schneck
Thermodynamic analysis of high-pressure phase equilibria in Fe-Si alloys, implications for the inner-core. Physics of the Earth and Planetary Interiors 172, 289 (2009).
E. Pechenik, I. Kelson and G. Makov
Many-body model of rare gases at high pressures. Physical Review B 78, 134109 (2008).
Y. Greenberg, E. Yahel, M. Ganor, R. Hevroni, I. Korover, M.P. Dariel, G. Makov
High Precision Measurements of the Temperature Dependence of the Sound Velocity in Selected Liquid Metals. J. Non-Crystall. Sol. 354 4094 (2008).
E. Brosh, R.Z. Schneck and G. Makov
Explicit Gibbs Free Energy Equation of State for Solids. J. Phys. Chem. Sol. 69 1912 (2008).
E. Brosh, G. Makov and R.Z. Schneck
Application of CALPHAD to high pressures. Calphad 31, 173 (2007).
E. Brosh, G. Makov and R.Z. Schneck
Thermodynamic analysis of light actinide elements. J. Nucl. Mater. 344, 36 (2005).
E. Brosh, G. Makov and R.Z. Shneck
The spinodal constraint on the equation of state of expanded fluids. J. Phys:Cond. Matt . 15, 1 (2003).
Radiation Damage
I. Gavish Segev, E. Yahel, I. Silverman, M. Cohen, G. Makov
Fracture morphology and mechanical properties of blisters in poly-and single crystal tungsten irradiated by MeV protons. J. Nucl. Mater. 525, 40-47 (2019).
I. Gavish Segev, E. Yahel, I. Silverman, A. Perry, L. Weismann and G. Makov
Hydrogen blister formation in single crystal and polycrystalline tungsten irradiated by MeV protons. J. Nucl. Mater. 513, 209-220 (2019).
I. Gavish Segev, E. Yahel, I. Silverman and G. Makov
Blister formation at subcritical doses in tungsten irradiated by MeV protons. J. Nucl. Mater. 496, 77-84 (2017).
Clusters, Interfaces and Solvation
A.A. Kornyshev, A.M. Kuznetsov, G. Makov and M.V. Vigdorovitch
Polaron effects on electronic properties of metal-medium interfaces II: In-situ 2nd harmonic generation. J. Chem. Soc. 92, 4004 (1996).
A.A. Kornyshev, A.M. Kuznetsov, G. Makov and M.V. Vigdorovitch
Polaron effects on electronic properties of metal-medium interfaces I: Uncharged metal/dielectric and metal/electrolyte interfaces. J. Chem. Soc. 92, 3997 (1996).
G. Makov and A.A. Kornyshev,
Profiles of liquid metal surfaces and interfaces from X-ray reflectivity. J. Chem. Phys. 104, 1693 (1996).
O. Cheshnovsky, R. Giniger, G. Markovitch, G. Makov, A. Nitzan and J. Jortner
Surface and Interior Anion Solvation In Water Clusters. J. de Chemie Physique 92, 397 (1995).
G. Makov and A. Nitzan
Solvation and Ionization near a Dielectric Surface. J. Phys. Chem. 98, 3459 (1994).
G. Makov and A. Nitzan
Electronic Properties of Finite Metal Systems. Phys. Rev. B 47, 2301 (1993).
G. Makov and A. Nitzan
Association of Ion-Pairs in Clusters of Dielectric Solvents. J. Phys. Chem. 96, 2965 (1992).
G. Makov and A. Nitzan
On the Non-Classical Asymptotic Behaviour of Electronic Properties in Metal Clusters. J.Chem. Phys. 95, 9024 (1991).
R.N. Barnett, U. Landman, G. Makov and A. Nitzan
Theoretical Studies of the Spectroscopy of Excess Electrons in water Clusters . J. Chem. Phys. 93, 6226 (1990).
G. Makov, A. Nitzan and L.E. Brus
On the Ionization Potential of Small Metal and Dielectric Particles. J. Chem. Phys. 88, 5076 (1988).