Zeitschriftenartikel (533)
501.
Zeitschriftenartikel
7, S. 972 - 977 (2008)
A map for phase-change materials. Nature Materials 502.
Zeitschriftenartikel
245, S. 2636 - 2641 (2008)
Error-propagation in multiscale approaches to the elasticity of polycrystals. Physica Status Solidi (B) 503.
Zeitschriftenartikel
603 (1), S. 60 - 64 (2008)
Water adsorption on hydrogenated Si(111) surfaces. Surface Science 504.
Zeitschriftenartikel
65, S. 499 - 504 (2008)
Cu cap layer on Ni8/Cu(001): reorientation and Tc-shift. The European Physical Journal B 505.
Zeitschriftenartikel
78, 033102 (2008)
Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 506.
Zeitschriftenartikel
77, 174117, S. 174117 (2008)
Ab initio study of the bcc-hcp transformation in iron. Physical Review B 507.
Zeitschriftenartikel
112, S. 4109 - 4112 (2008)
First principles free energy analysis of helix stability: The origin of the low entropy in pi-helices. Journal of Physical Chemistry B 508.
Zeitschriftenartikel
77, 075202 (2008)
Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN. Physical Review B 509.
Zeitschriftenartikel
245 (5), S. 929 - 945 (2008)
Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy. Physica Status Solidi (B) 510.
Zeitschriftenartikel
B 245, S. 2630 - 2635 (2008)
A comparison of polycrystalline elastic constants computed by analytic homogenization schemes and FEM. Physica Status Solidi 511.
Zeitschriftenartikel
99 (20), 206103 (2007)
Compositional Correlation and Anticorrelation in Quaternary Alloys: Competition Between Bulk Thermodynamics and Surface Kinetics. Physical Review Letters 512.
Zeitschriftenartikel
1 (11), S. 408 - 418 (2007)
The role of ab initio electronic structure calculations in contemporary materials science - part 2. Journal of Functional Materials 513.
Zeitschriftenartikel
1 (10), S. 363 - 367 (2007)
The role of ab initio electronic structure calculations in contemporary materials science - part 1. Journal of Functional Materials 514.
Zeitschriftenartikel
55 (13), S. 4475 - 4487 (2007)
Theory-guided bottom-up design of β-titanium alloys as biomaterials based on first principles calculations: Theory and experiments. Acta Materialia 515.
Zeitschriftenartikel
76 (2), 024309 (2007)
Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 516.
Zeitschriftenartikel
601, S. 4775 - 4785 (2007)
Nitrogen adsorption and thin surface nitrides on Cu(111) from first-principles. Surface Science 517.
Zeitschriftenartikel
73 (20), S. 205346-1 - 205346-13 (2006)
First-principles calculations of the structural and electronic properties of clean GaN (0001) surfaces. Physical Review B 518.
Zeitschriftenartikel
378-80, S. 706 - 707 (2006)
A self-consistent projection-operator approach to the Kondo-lattice model. Physica B-Condensed Matter 519.
Zeitschriftenartikel
96, S. 046801-1 - 046801-4 (2006)
Bulk Electronic Structure of Metals Resolved with Scanning Tunneling Microscopy. Physical Review Letters 520.
Zeitschriftenartikel
89 (16), 161919 (2006)
Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory. Applied Physics Letters