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Ab initio calculation of low-energy collective charge-density excitations in MgB2
(American Physical Society, 2009-08)
We present ab initio time-dependent density-functional theory calculation results for low-energy collective electron excitations in MgB2. The existence of a long-lived collective excitation corresponding to coherent charge ...
Upconversion cooling of Er-doped low-phonon fluorescent solids
(American Physical Society, 2009-01)
We report on a novel mechanism for laser cooling of fluorescent solids based on infrared-to-visible upconversion often found in rare-earth-doped low-phonon materials. This type of optical cooling presents some advantages ...
Exact-exchange Kohn-Sham potential, surface energy, and work function of jellium slabs
(American Physical Society, 2008-08)
Exact-exchange self-consistent calculations of the Kohn-Sham potential, surface energy, and work function of jellium slabs are reported in the framework of the optimized effective potential (OEP) scheme of density functional ...
Energy loss of charged particles moving parallel to a magnesium surface
(American Physical Society, 2008-10)
We present it ab initio calculations of the electronic energy loss of charged particles moving outside a magnesium surface, from a realistic description of the one-electron band structure and a full treatment of the dynamical ...
First-principles calculations of hot-electron lifetimes in metals
(American Physical Society, 2000)
First-principles calculations' of the inelastic lifetime of low-energy electrons in Al, Mg, Be, and Cu are reported. Quasiparticle damping rates are evaluated from the: knowledge of the electron self-energy, which we compute ...
Role of occupied d bands in the dynamics of excited electrons and holes in Ag
(American Physical Society, 2003)
The role that occupied d bands play in the inelastic lifetime of bulk and surface states in Ag is investigated from the knowledge of the quasiparticle self-energy. In the case of bulk electrons, sp bands are taken to be ...
Position-dependent exact-exchange energy for slabs and semi-infinite jellium
(American Physical Society, 2009-12)
The position-dependent exact-exchange energy per particle epsilon(x)(z) (defined as the interaction between a given electron at z and its exact-exchange hole) at metal surfaces is investigated, by using either jellium slabs ...
Exchange-Correlation Hole of a Generalized Gradient Approximation for Solids and Surfaces
(American Physical Society, 2009-02)
We propose a generalized gradient approximation (GGA) for the angle- and system-averaged exchange-correlation hole of a many-electron system. This hole, which satisfies known exact constraints, recovers the Perdew-Burke-Ernzerhof ...