Project realized by: Gianga Tiberiu Marius &

Rsdean Dora Maria

Coordonator:

Conf. dr. ing. Bizerea Otilia



Metallic Hydrogen
History of Metallic Hydrogen
Since the rst prediction of an atomic
metallic phase of hydrogen by Wigner
and Huntington over 75 years ago. [1].

Researchers in the UK and the US claim
to have discovered a new phase of
hydrogen in which the diatomic
molecules break apart to form six-atom
rings, similar to graphene. The new
phase, which occurs at very high
pressures, could be a stepping stone
towards a long-sought after phase:
metallic hydrogen. [1]




Figure 1. Eugene Paul
Wigner (19021995)
History of Metallic Hydrogen
More recent experiments have
employed higher pressures still.
Indeed, last year Mikhail Eremets and
Ivan Troyan, claimed evidence for
metallic hydrogen at pressures up to
260GPa. But other scientists believed
that evidence was unreliable.
We found that [hydrogen] conducts to
the lowest measured temperatures of
30K, and the resistance is nearly
temperature independent, as [it] should
be for metals, say Eremets and
Troyan. [2]

Figure 2. Mikhail
Eremets
Metallic Hydrogen
Structure
Previous studies have taken the approach of simply proposing
candidate structures, leading to diverse and contradictory
predictions. In some cases isotropic structures have been predicted
as the ground state, while in other cases anisotropic ones have.

It is apparent that, in analogy with the other alkali metals, even an
elemental solid can have a rather complex structure

Recently, however, more robust methods for determining crystal
structures have been proposed, such as the ab initio random
structure searching (AIRSS) method by Pickard and Needs [1]
Metallic Hydrogen
Structure
Metallic hydrogen seems to
adopt several structures
depending on the pressure.
Near 500 GPa, Cmca
dissociates into a
monatomic body-centered
tetragonal structure with
space-group I4
1
/amd and a
c/a ratio greater than unity
(e.g., c/a=2,59 at 500 GPa)
I4
1
/amd is found to remain
stable until approximately
2,5 Tpa [1]

Figure 3. Structure of ground state
phase of metallic hydrogen: Unit cell of
I4
1
/amd (c/a > 1)
Metallic Hydrogen
Structure

Near 2,5 TPa, new additional structures become
important including:

R-3m, which is hexagonal and planar with . . .
ABCABC. . . stacking (e.g., c/a = 3,03 at 3 TPa)

most stable structure of this group, R3m [1]
Figure 4. Structure of
ground state phase of
metallic hydrogen: 2 x
2 x 1 supercell of R-3m
Figure 5. Structure of
ground state phase of
metallic hydrogen: 2
x1 x 1 supercells
Superconductivity in Metallic
Hydrogen

The challenge of metallic hydrogen is alluring because it
has the potential for significant applications. For example,
some believe studies of the material could lead to a room
temperature superconductor, which would enable
lossless power transmission [2].
Superconductivity in Metallic
Hydrogen
In conclusion, the researchers investigated superconductivity in the
ground-state structures of atomic metallic hydrogen over the range
500 GPa to 3,5 TPa.

While the Tc values presented incredibly high, they are nonetheless
reasonable. However, there are two caveats.

However, this suggests the interesting possibility that the atomic
metallic solid phase of hydrogen (at least the I4
1
/amd and R-3m
structures) may exist entirely in superconducting states.[3]



Metallic Hydrogen
Applications


The metastability of metallic hydrogen depends on temperature and
pressure. Above some temperature there will be sufficient thermal
energy in the atomic lattice for the atoms to rise above the portential
barrier and recombine into hydrogen molecules, releasing the energy
of recombination, 216 MJ/kg (note: the dissociation energy of a
hydrogen molecule is 4,68 eV). [4]
Metallic Hydrogen
Aplications

Metastable metallic hydrogen would be a very light-
weight, low volume, powerful rocket propellant. One of
the characteristics of a propellant is its specific impulse,
Isp . Liquid (molecular) hydrogen-oxygen used in modern
rockets has an Isp of ~460s; metallic hydrogen has a
theoretical Isp of 1700 s! [4]
Metallic hydrogen
Applications

Detailed analysis shows that such a fuel would allow
single-stage rockets to enter into orbit or carry
economical payloads to the moon. If pure metallic
hydrogen is used as a propellant, the reaction chamber
temperature is calculated to be greater than 6000 K, too
high for currently known rocket engine materials. [4]
Hydrogen that mimics
graphne
The researchers subjected samples of hydrogen and
deuterium to pressures up to 315GPa in a diamond anvil
cell at temperatures of 300K. Using Raman
spectroscopy, they measured the vibron frequency, which
determines the strength of the H-H bonds and which
therefore describes how 'molecular' the hydrogen is. At
220GPa, the researchers found that the main vibron
frequency rapidly decreased, while a second vibron
appeared, maintaining the original frequency. [2]
Hydrogen that mimics
graphene

One of the physicists' predictions for a new phase closely
matched the latest results: graphene-like layers.

At higher pressures, Gregoryanz says, these graphene-
like layers may become symmetrical, and exhibit semi-
metallic behaviour. [2]
Figure 6. Under intense pressures hydrogen can
form a structure similar to graphene


Figure 7. Structure of
Jupiter and Saturn
References
1. Jeffrey M. McMahon, and David M. Ceperley, Ground-State
Structures of Atomic Metallic Hydrogen, PHYSICAL REVIEW
LETTERS, 2011, 106, 165302 (DOI:
10.1103/PhysRevLett.106.165302 )
2. R T Howie et al, Phys. Rev. Lett., 2012, 108,125501 (DOI: 10.1103/
PhysRevLett.108.125501)
3. Jerey M. McMahon, and David M. Ceperley, High-Temperature
Superconductivity in Atomic MetallicHydrogen
4. Isaac F. Silvera and John W. Cole, Metallic Hydrogen: The Most
Powerful Rocket Fuel Yet to Exist, Journal of Physics: Conference
Series, 2010, 215, 012194 (DOI: 10.1088/1742-6596/215/1/012194)