Accurate, Large-Scale Density Functional Melting of Hg: Relativistic Effects Decrease Melting Temperature by 160 K

Krista G Steenbergen1, Elke Pahl1, Peter Schwerdtfeger1

  • 1Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study and the Institute of Natural and Mathematical Sciences, Massey University Auckland , Private Bag 102904, 0632 Auckland, New Zealand.

Related Concept Videos

Bonding in Metals02:32

Bonding in Metals

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
55.0K
Space-Time Curvature and the General Theory of Relativity01:17

Space-Time Curvature and the General Theory of Relativity

In 1905, Albert Einstein published his special theory of relativity. According to this theory, no matter in the universe can attain a speed greater than the speed of light in a vacuum, which thus serves as the speed limit of the universe.
This has been verified in many experiments. However, space and time are no longer absolute. Two observers moving relative to one another do not agree on the length of objects or the passage of time. The mechanics of objects based on Newton's laws of...
4.8K
Superconductor01:24

Superconductor

A substance that reaches superconductivity, a state in which magnetic fields cannot penetrate, and there is no electrical resistance, is referred to as a superconductor. In 1911, Heike Kamerlingh Onnes of Leiden University, a Dutch physicist, observed a relation between the temperature and the resistance of the element mercury. The mercury sample was then cooled in liquid helium to study the linear dependence of resistance on temperature. It was observed that, as the temperature decreased, the...
1.9K
Atomic Spectroscopy: Effects of Temperature01:27

Atomic Spectroscopy: Effects of Temperature

Atomization, converting samples into gas-phase atoms and ions, is essential for atomic spectroscopy. The flame temperature required for atomization affects the efficiency of the atomic spectroscopic methods by increasing the atomization efficiency and the relative population of the excited and ground states.
At thermal equilibrium, the relative populations of excited and ground state atoms can be estimated using the Maxwell–Boltzmann distribution. For example, an increase in temperature...
1.0K
Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
15.4K
Escape Velocities of Gases01:19

Escape Velocities of Gases

To escape the Earth's gravity, an object near the top of the atmosphere at an altitude of 100 km must travel away from Earth at 11.1 km/s. This speed is called the escape velocity. The temperature at which gas molecules attain the rms speed, which is equal to the escape velocity, can be estimated by using the equation for the average kinetic energy of the gas molecules. According to the kinetic theory of gas, the average kinetic energy of the gas molecules is proportional to its...
1.4K