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Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 12/2013, Volume 88, Issue 24
Chemically and mechanically exfoliated MoS$_2$ single-layer samples have substantially different properties. While mechanically exfoliated single-layers are... 
Journal Article
Physical Review Letters, ISSN 0031-9007, 07/2018, Volume 121, Issue 2, p. 026401
We study the structural, electronic, and vibrational properties of single-layer 1T−NbSe2 from first principles. Within the generalized gradient approximation,... 
Charge density | First principles | Polytypes | Charge density waves | Lifts | Density functional theory | Magnetism | Periodic variations | Jahn-Teller effect
Journal Article
Physical Review Letters, ISSN 0031-9007, 07/2018, Volume 121, Issue 2
Journal Article
Nature Nanotechnology, ISSN 1748-3387, 09/2015, Volume 10, Issue 9, pp. 737 - 738
Journal Article
Physical Review Letters, ISSN 0031-9007, 07/2018, Volume 121, Issue 2
We study the structural, electronic, and vibrational properties of single-layer 1T-NbSe2 from first principles. Within the generalized gradient approximation,... 
PHYSICS, MULTIDISCIPLINARY | X-RAY | 1T-TAS2
Journal Article
Nature Physics, ISSN 1745-2473, 02/2012, Volume 8, Issue 2, pp. 131 - 134
Graphene(1) is the physical realization of many fundamental concepts and phenomena in solid-state physics(2). However, in the list of graphene's many... 
PHYSICS, MULTIDISCIPLINARY | GRAPHITE | Electronics | Solid state physics | Lithium | Condensed matter physics | Superconductivity | Graphene | Sheet metal | Coolers | Doping | Nanostructure | Devices
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 12/2013, Volume 88, Issue 24
Chemically and mechanically exfoliated MoS sub(2) single-layer samples have substantially different properties. While mechanically exfoliated single-layers are... 
Electronic structure | Phases | Molybdenum disulfide | Stability | Condensed matter | Mathematical analysis | Dispersions | Exfoliation
Journal Article
Physical Review B, ISSN 1098-0121, 12/2013, Volume 88, Issue 24
Journal Article
Nature Nanotechnology, ISSN 1748-3387, 09/2015, Volume 10, Issue 9, pp. 737 - 738
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 05/2013, Volume 87, Issue 20
Journal Article
Physical Review Letters, ISSN 0031-9007, 06/2008, Volume 101, Issue 1, p. 016401
Using density functional theory calculations we show that the recently synthesized superhard diamondlike BC5 is superconducting with a critical temperature of... 
Journal Article
Physical review letters, 07/2018, Volume 121, Issue 2, p. 026401
We study the structural, electronic, and vibrational properties of single-layer 1T-NbSe_{2} from first principles. Within the generalized gradient... 
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 12/2009, Volume 80, Issue 24
Journal Article
02/2019
At ambient pressure, bulk 2H-NbS$_2$ displays no charge density wave instability at odds with the isostructural and isoelectronic compounds 2H-NbSe$_2$,... 
Physics - Materials Science
Journal Article
Physical Review Letters, ISSN 0031-9007, 05/2011, Volume 106, Issue 19, p. 196406
At low temperature TiSe2 undergoes a charge-density wave instability. Superconductivity is stabilized either by pressure or by Cu intercalation. We show that... 
LATTICE INSTABILITY | DYNAMICS | WANNIER FUNCTIONS | PSEUDOPOTENTIALS | PHYSICS, MULTIDISCIPLINARY
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 05/2013, Volume 87, Issue 20
We develop a technique based on density functional theory and the projector augmented wave method in order to obtain the x-ray absorption cross section at a... 
MAGNETIC FIELD | X RAYS | X-rays | Channels | Projectors | Condensed matter | Angular momentum | Mathematical models | ABSORPTION | Absorption cross sections | Copper | CUPRITE | MATHEMATICAL ANALYSIS
Journal Article
Physical Review B, ISSN 1098-0121, 05/2013, Volume 87, Issue 20
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 02/2014, Volume 89, Issue 6
Harmonic calculations based on density-functional theory are generally the method of choice for the description of phonon spectra of metals and insulators. The... 
CUBIC IRON | HYDROGEN | PHYSICS, CONDENSED MATTER | 1ST-PRINCIPLES THEORY | SUPERCONDUCTIVITY | SYMMETRY PROPERTIES | CRYSTAL | EARTHS CORE | METAL HYDRIDES | NORMAL VIBRATIONS | TRANSITION-TEMPERATURE | Physics - Materials Science
Journal Article
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