Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Printed Original Contributions
2014 - 2014
11 records
Publications in Scientific Journals
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A. Asali, P. Toson, P. Blaha, J. Fidler:
"Dependence of Magnetic Anisotropy Energy on c/a Ratio of X2Fe14B (X = Y, Pr, Dy)";
IEEE Transactions on Magnetics,
50
(2014),
11; 7027504.
More information
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R. Bliem, E. McDermott, P. Ferstl, M. Setvin, O. Gamba Vasquez, J. Pavelec, M. Schneider, M. Schmid, U. Diebold, P. Blaha, L. Hammer, G. Parkinson:
"Subsurface cation vacancy stabilization of the magnetite (001) surface";
Science,
346
(2014),
1215
- 1218.
More information
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C. Seibel, A. Nuber, H. Bentmann, M. Mulazzi, P. Blaha, G. Sangiovanni, F. Reinert:
"Quantized electronic fine structure with large anisotropy in ferromagnetic Fe films";
Physical Review B,
90
(2014),
035136.
More information
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R. Bliem, R. Kosak, L. Perneczky, Z. Novotny, O. Gamba Vasquez, D. Fobes, Z. Mao, M. Schmid, P. Blaha, U. Diebold, G. Parkinson:
"Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite";
ACS Nano,
8
(2014),
7531
- 7537.
More information
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A. Tröster, W. Schranz, F. Karsai, P. Blaha:
"Fully Consistent Finite-Strain Landau Theory for High-Pressure Phase Transitions";
Physical Review X,
4
(2014),
031010.
More information
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M. Iannuzzi, F. Tran, R. Widmer, T. Dienel, K. Radican, Y. Ding, J. Hutter, O. Groening:
"Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh";
Physical Chemistry Chemical Physics,
16
(2014),
12374
- 12384.
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D. Rettenwander, P. Blaha, R. Laskowski, K. Schwarz, P. Bottke, M. Wilkening, C. Geiger, G. Amthauer:
"DFT Study of the Role of Al3+ in the Fast Ion-Conductor Li7-3xAll3+xLa3Zr2O12 Garnet";
Chemistry of Materials,
26
(2014),
2617
- 2623.
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F. Tran, F. Karsai, P. Blaha:
"Nonmagnetic and ferromagnetic fcc cerium studied with one-electron methods";
Physical Review B,
89
(2014),
155106.
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Z. Li, Y. Li, P. Blaha, N. Kioussis:
"Predicted topological phase transition in the SmS Kondo insulator under pressure";
Physical Review B,
89
(2014),
121117 (R).
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F. Karsai, F.P. Tiwald, R. Laskowski, F. Tran, D. Koller, S. Gräfe, J. Burgdörfer, L. Wirtz, P. Blaha:
"F center in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches";
Physical Review B,
89
(2014),
125429.
More information
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R. Laskowski, P. Blaha:
"Calculating NMR chemical shifts using the augmented plane-wave method";
Physical Review B,
89
(2014),
014402.