Magnetic edge states inMoS2characterized using density-functional theory

Quantal density functional theory of excited states.

We explain by quantal density functional theory the physics of mapping from any bound nondegenerate excited state of Schrödinger theory to an S system of noninteracting fermions with equivalent density and energy. The S system may be in a ground or excited state. In either case, the highest occupied eigenvalue is the negative of the ionization potential. We demonstrate this physics with example...

Magnetic Edge States

Magnetic edge states are responsible for various phenomena of magneto-transport. Their importance is due to the fact that, unlike the bulk of the eigenstates in a magnetic system, they carry electric current along the boundary of a confined domain. Edge states can exist both as interior (quantum dot) and exterior (anti-dot) states. In the present report we develop a consistent and practical spe...

Density functional theory calculation of edge stresses in monolayer MoS2

Non-collinear Magnetic States: From Density Functional Theory to Model Hamiltonians

Recent observation of \colossal magnetoresistance" in La 1?x Ca x MnO 3 and related compounds suggest the importance of orientational disordering of Mn magnetic moments, especially near the Curie temperature. Several interesting compounds even display non-collinear moments (NCM) in their ground states. Although self-consistent local density functional based treatments of NCM are already availab...

electronic properties of titanium using density functional theory

in the present work, the electronic properties of titanium were studied in three phases of α, β and ω using the density function theory (dft). the full potential augmented plane wave plus local orbital (flapw+lo) method was applied using the generalized gradient approximation. the calculated total energies showed that omega phase was more stable than the two other phases. the largest electrical...