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In this paper, we provide the exact expression for the coefficients in the low-temperature series expansion of the partition function of the two-dimensional Ising model on the infinite square lattice. This is equivalent to exact…
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In particular we…
Spin-orbit coupling (SOC) plays an important role in determining the structural and electronic properties of recently proposed two-dimensional planar pentagonal materials. In this work, density functional theory calculations are employed to…
In the present article, we introduce the relativistic Cholesky-decomposed density (CDD) matrix second-order M{\o}ller-Plesset perturbation theory (MP2) energies. The working equations are formulated in terms of the usual intermediates of…
The spin mixing conductance (SMC) is a key quantity determining efficiency of spin transport across interfaces. Thus, knowledge of its precise value is required for accurate measurement of parameters quantifying numerous effects in…
During the past five years the low temperature heat capacity of simple semiconductors and insulators has received renewed attention. Of particular interest has been its dependence on isotopic masses and the effect of spin- orbit coupling in…
Block tensor decomposition (BTD) and canonical polyadic decomposition (CPD) are combined into a unified $O(N^3)$-scaling framework for second-order perturbation theory (PT2), demonstrated on MP2 and renormalized PT2 (rPT2). BTD constructs…
We report a comprehensive study on the intrinsic spin Hall conductivity (SHC) of semimetals MoTe2 and WTe2 by ab initio calculation. Large SHC and desirable spin Hall angles have been discovered, due to the strong spin orbit coupling effect…
Motivated by the on-going investigation of SrCu$_2$(BO$_3$)$_2$ under pressure, we study a variant of the two-dimensional Shastry-Sutherland (SS) spin-1/2 model with two types of dimers. Combined with the frustration of the SS model, this…
We introduce the concept of a bosonic spin liquid condensate (SLC), where spinful bosons in a lattice form a zero-temperature spin disordered charge condensate that preserves the spin rotation symmetry, but breaks the U(1) symmetry due to a…
A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature \chi(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and ladder oxide compounds. Extensive quantum Monte Carlo…
A review of the coupled cluster method (CCM) applied to lattice quantum spin systems is presented here. The CCM formalism is explained and an application to the spin-half {\it XXZ} model on the square lattice is presented. Low orders of…
The quantum spin Hall (QSH) effect has attracted extensive research interest because of the potential applications in spintronics and quantum computing, which is attributable to two conducting edge channels with opposite spin polarization…
We present theoretical aspects of spin polarized two dimensional electron gas (SP2DEG) which can be achieved in doped semimagnetic quantum wells. This original model system has been recently studied by magneto Raman scattering experiments…
One of the most fundamental and exotic properties of 3D topological insulators (TIs) is spin-momentum-locking (SML) of their topological surface states (TSSs), promising for potential applications in future spintronics. However, other…
A fast stochastic method for calculating the 2nd order M{\o}ller-Plesset (MP2) correction to the correlation energy of large systems of electrons is presented. The approach is based on reducing the exact summation over occupied and…
The compression of SH$_2$ and its subsequent decomposition to SH$_3$, presumably in a cubic Im$\overline{3}$m structure, has lead to the discovery of conventional superconductivity with the highest measured and confirmed $T_c$ to date, 203…
The static and dynamic local spin susceptibility of the organic Mott insulator $\kappa$-(ET)$_2$Cu$_2$(CN)$_3$, a model material of the spin- 1/2 triangular lattice, is studied by $^{13}$C NMR spectroscopy from room temperature down to 20…
In this paper, we report the theoretical investigation and experimental realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn belonging to the family of quaternary Heusler alloys. Through the use of several ground-state…
A partial-active-space (PAS) multi-state (MS) multi-reference second-order perturbation theory (MRPT2) for the electronic structure of strongly correlated systems of electrons, dubbed PASPT2, is formulated by linearizing the intermediate…