DFT, however, fails to explain the spectral properties of solids which have partially lled d and f shells. For this class of compounds, DFT quite often predicts a metallic ground state but experiments show that they are ...

The adaptation dynamics of a population depends on the size and frequency of beneficial mutations, or in other words, the distribution of beneficial fitness effects (DBFE).Whether adaptation happens via many mutations ...

Nanomaterials have become a gold mine for research in the eld of materials science, owing to the incredible variety of novel and technologically desirable properties that one can get out of materials by a reduction in ...

Technological growth has often been fueled by the discovery of materials exhibiting exotic properties and improved efficiency. With advances in computational resources and scientific theories, materials can be designed ...

Defects in crystals are not just a subject of scientific curiosity rather an im portant ingredient of solid-state science. This realization is because of the interesting structure-sensitive properties of crystalline solids ...

In nature many substances are commonly seen in solid , liquid and gas phases. Existence of a substance of a substancesin particular phase is dependent on certain thermodynamic conditions defined by temperature, pressure, ...

In this thesis, we present theoretical studies of the properties of some examples of low-dimensional systems and nanomaterials. Both these classes of materials have properties which may be different, both quantitatively ...

Let A be an operator in a Hilbert space H with Dom(A) is the domain and Ran(A) is the range of the operator A. An operator A is said to be densely defined if Dom(A) is dense in H. A densely defined operator A is said to ...

It is shown how to use non-commutative stopping times in order to stop the CCR flow of arbitrary index and also its isometric cocycles, i.e. left operator Markovian cocycles on Boson Fock space. Stopping the CCR flow yields ...

Traditional routes to charge density wave (CDW) in transition-metal dichalcogenides, relying on Fermi surface nesting or Jahn-Teller instabilities, have recently been brought into question. While this calls for exploration ...