activity
20052020
most citedFirst principles investigation of finite-temperature behavior in small sodium clusters

58 citations · 128 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2020★ 2 cited

Evidence for nitrogen gas surface doping of the BiSe topological insulator

Michael Gottschalk, Mal-Soon Lee, Eric Goodwin +6

Using scanning tunneling spectroscopy we have studied the effects of nitrogen gas exposure on the bismuth selenide density of states. We observe a shift in the Dirac point which is…

cond-mat.mes-hall2012★ 13 cited

The Interplay of Topological Surface and Bulk Electronic States in Bi2Se3

Megan Romanowich, Mal-Soon Lee, Duck-Young Chung +4

In this Letter we present scanning tunneling microscopy density-of-states measurements and electronic structure calculations of the topological insulator Bi2Se3. The measurements s…

physics.atm-clus2007★ 15 cited

The electronic structures, the equilibrium geometries and finite temperature properties of Na_n (n=39-55)

Shahab Zorriasatein, Mal-Soon Lee, D. G. Kanhere

Density-functional theory has been applied to investigate systematics of sodium clusters Na_n in the size range of n= 39-55. A clear evolutionary trend in the growth of their groun…

cond-mat.mes-hall2006★ 18 cited

Geometric, electronic properties and the thermodynamics of pure and Al--doped Li clusters

Mal--Soon Lee, S. Gowtham, Haiying He +3

The first--principles density functional molecular dynamics simulations have been carried out to investigate the geometric, the electronic, and the finite temperature properties of…

cond-mat.stat-mech2006★ 22 cited

Effect of geometric and electronic structures on the finite temperature behavior of Na, Na, and Na clusters

Mal-Soon Lee, D. G. Kanhere

An analysis of the evolutionary trends in the ground state geometries of Na to Na reveals Na, an electronic closed--shell system, shows namely an electronicall…

cond-mat.stat-mech2005★ 58 cited

First principles investigation of finite-temperature behavior in small sodium clusters

Mal-Soon Lee, S. Chacko, D. G. Kanhere

A systematic and detailed investigation of the finite-temperature behavior of small sodium clusters, Na_n, in the size range of n= 8 to 50 are carried out. The simulations are perf…